1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide

C38H30ClN9O2 — CID 137379672

IUPAC1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4n3-c3cccc(-n4cc(C5(NC(=O)c6cc7cc(Cl)ccc7[nH]6)CC5)cn4)c3)CC2)cn1
InChIInChI=1S/C38H30ClN9O2/c1-46-21-26(19-41-46)37(9-10-37)45-36(50)34-16-25-13-23(18-40)5-8-33(25)48(34)30-4-2-3-29(17-30)47-22-27(20-42-47)38(11-12-38)44-35(49)32-15-24-14-28(39)6-7-31(24)43-32/h2-8,13-17,19-22,43H,9-12H2,1H3,(H,44,49)(H,45,50)
InChIKeyRSLAPSYBZZSWJY-UHFFFAOYSA-N
MW680.17 g/mol
LogP6.39
Rot. Bonds8

About 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide

1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide (PubChem CID 137379672) has the molecular formula C38H30ClN9O2 and a molecular weight of 680.17 g/mol. Its IUPAC name is 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide
PubChem CID137379672
Molecular FormulaC38H30ClN9O2
Molecular Weight680.17 g/mol
Exact Mass679.22
IUPAC Name1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide
SMILESCn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4n3-c3cccc(-n4cc(C5(NC(=O)c6cc7cc(Cl)ccc7[nH]6)CC5)cn4)c3)CC2)cn1
InChIInChI=1S/C38H30ClN9O2/c1-46-21-26(19-41-46)37(9-10-37)45-36(50)34-16-25-13-23(18-40)5-8-33(25)48(34)30-4-2-3-29(17-30)47-22-27(20-42-47)38(11-12-38)44-35(49)32-15-24-14-28(39)6-7-31(24)43-32/h2-8,13-17,19-22,43H,9-12H2,1H3,(H,44,49)(H,45,50)
InChIKeyRSLAPSYBZZSWJY-UHFFFAOYSA-N
XLogP6.39
TPSA138.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.17
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide?
The IUPAC name of 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide (CID 137379672) is 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide.
What is the SMILES notation for 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide?
The canonical SMILES for 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide is Cn1cc(C2(NC(=O)c3cc4cc(C#N)ccc4n3-c3cccc(-n4cc(C5(NC(=O)c6cc7cc(Cl)ccc7[nH]6)CC5)cn4)c3)CC2)cn1.
What is the InChIKey of 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide?
The InChIKey is RSLAPSYBZZSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30ClN9O2/c1-46-21-26(19-41-46)37(9-10-37)45-36(50)34-16-25-13-23(18-40)5-8-33(25)48(34)30-4-2-3-29(17-30)47-22-27(20-42-47)38(11-12-38)44-35(49)32-15-24-14-28(39)6-7-31(24)43-32/h2-8,13-17,19-22,43H,9-12H2,1H3,(H,44,49)(H,45,50).
What are the key properties of 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide?
1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide has a molecular weight of 680.17 g/mol, XLogP of 6.39, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[1-[(5-chloro-1H-indole-2-carbonyl)amino]cyclopropyl]pyrazol-1-yl]phenyl]-5-cyano-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]indole-2-carboxamide is sourced from PubChem (CID 137379672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).