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Also known as: Mk-1084, Chembl4875422, Calderasib [inn], Yqf4art47c, Schembl23273000, Bdbm50572111

Molecular Formula

C₃₂H₃₁ClF₂N₆O₄

Molecular Weight

637.1 g/mol

InChI Key

BBIVCWWQPMOKAC-MSOLQXFVSA-N

FDA UNII

YQF4ART47C

1 2D Structure

MK-1084

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

19-chloro-22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-13,16-difluoro-3-propan-2-yl-8,11-dioxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12,14,16,18,20,22,25-decaen-24-one

2.1.2 InChI

InChI=1S/C32H31ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h6-10,13,16-18H,1,11-12,14-15H2,2-5H3/t17-,18+/m1/s1

2.1.3 InChI Key

BBIVCWWQPMOKAC-MSOLQXFVSA-N

2.2 Other Identifiers

2.2.1 UNII

YQF4ART47C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Mk-1084

2. Chembl4875422

3. Calderasib [inn]

4. Yqf4art47c

5. Schembl23273000

6. Bdbm50572111

7. Mk1084

8. At48485

9. Hy-162431

10. Cs-1048397

2.4 Create Date

2021-08-21

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₃₁ClF₂N₆O₄
Molecular Weight	637.1 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	100
Heavy Atom Count	45
Formal Charge	0
Complexity	1160
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Drugs in Development

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