1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-7-[(3S)-3-[4-[4-[[4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]piperidin-1-yl]-1H-indazole-3-carbonitrile

2.1.2 InChI

InChI=1S/C43H48ClN9O2/c1-49-38(23-31-6-9-34(24-39(31)49)53-22-16-40(54)46-43(53)55)30-14-18-50(19-15-30)26-28-12-20-51(21-13-28)33-7-4-29(5-8-33)32-3-2-17-52(27-32)37-11-10-35(44)41-36(25-45)47-48-42(37)41/h4-11,23-24,28,30,32H,2-3,12-22,26-27H2,1H3,(H,47,48)(H,46,54,55)/t32-/m1/s1

2.1.3 InChI Key

GOWJHJUMPVCHAN-JGCGQSQUSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3056515-10-4

2. Schembl31198550

3. Azd9750

4. Ex-a13467

5. 4-chloro-7-[(3s)-3-[4-[4-[[4-[6-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindol-2-yl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]piperidin-1-yl]-1h-indazole-3-carbonitrile

2.3 Create Date

2024-11-01

3 Chemical and Physical Properties

Molecular Formula	C₄₃H₄₈ClN₉O₂
Molecular Weight	758.4 g/mol
XLogP3	6.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	117
Heavy Atom Count	55
Formal Charge	0
Complexity	1400
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

CID 172321976

CID 172321976

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