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Chemistry

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Also known as: 1903010-39-8, 1-(2-(2-methoxy-4-(morpholin-4-yl)-5-nitroanilino)pyrimidin-4-yl)-3-phenyl-1h-pyrazole-4-carbaldehyde, Refchem:421008, 852-633-4, Schembl17670321, Schembl30385109

Molecular Formula

C₂₅H₂₃N₇O₅

Molecular Weight

501.5 g/mol

InChI Key

GOZZBVSFYMEUEJ-UHFFFAOYSA-N

1 2D Structure

1903010-39-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-(2-methoxy-4-morpholin-4-yl-5-nitroanilino)pyrimidin-4-yl]-3-phenylpyrazole-4-carbaldehyde

2.1.2 InChI

InChI=1S/C25H23N7O5/c1-36-22-14-20(30-9-11-37-12-10-30)21(32(34)35)13-19(22)27-25-26-8-7-23(28-25)31-15-18(16-33)24(29-31)17-5-3-2-4-6-17/h2-8,13-16H,9-12H2,1H3,(H,26,27,28)

2.1.3 InChI Key

GOZZBVSFYMEUEJ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1903010-39-8

2. 1-(2-(2-methoxy-4-(morpholin-4-yl)-5-nitroanilino)pyrimidin-4-yl)-3-phenyl-1h-pyrazole-4-carbaldehyde

3. Refchem:421008

4. 852-633-4

5. Schembl17670321

6. Schembl30385109

7. Gozzbvsfymeuej-uhfffaoysa-n

8. Db-132548

9. 1-(2-(2-methoxy-4-morpholino-5-nitrophenylamino)pyrimidin-4-yl)-3-phenyl-1h-pyrazole-4-carbaldehyde

10. 1-[2-(2-methoxy-4-morpholino-5-nitrophenylamino)pyrimidin-4-yl]-3-phenyl-1h-pyrazole-4-carboxaldehyde

2.3 Create Date

2016-08-06

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₃N₇O₅
Molecular Weight	501.5 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	140
Heavy Atom Count	37
Formal Charge	0
Complexity	760
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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