1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile

2.1.2 InChI

InChI=1S/C23H22ClFN8O2/c1-14-22(29-30-33(14)17-4-6-31(13-26)7-5-17)15-8-20(23-18(24)10-28-32(23)11-15)35-21(12-34)19-3-2-16(25)9-27-19/h2-3,8-11,17,21,34H,4-7,12H2,1H3/t21-/m1/s1

2.1.3 InChI Key

OYUCEQFRNJABJW-OAQYLSRUSA-N

2.2 Other Identifiers

2.2.1 UNII

SN3C4ZE59P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Loxo-435

2. 2833703-74-3

3. Vepugratinib [usan]

4. Sn3c4ze59p

5. Ly3866288 Anhydrous Free Base

6. Ly-3866288 Anhydrous Free Base

7. Ex-a12410

8. 4-[4-[3-chloro-4-[(1s)-1-(5-fluoropyridin-2-yl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile

2.4 Create Date

2024-04-05

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₂ClFN₈O₂
Molecular Weight	496.9 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	117
Heavy Atom Count	35
Formal Charge	0
Complexity	767
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Vepugratinib

Vepugratinib

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