4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide

C24H28ClN5O4 — CID 167229382

IUPAC4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)CCC3CCNC3=O)cc2c1Cl
InChIInChI=1S/C24H28ClN5O4/c1-34-20-7-6-17-16(21(20)25)11-19(29-17)24(33)30-18(10-13-2-3-13)23(32)28-15(12-26)5-4-14-8-9-27-22(14)31/h6-7,11,13-15,18,29H,2-5,8-10H2,1H3,(H,27,31)(H,28,32)(H,30,33)/t14?,15-,18-/m0/s1
InChIKeyXBPRAUPRVWAVTQ-UFFKYAFASA-N
MW485.97 g/mol
LogP2.65
Rot. Bonds10

About 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide

4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 167229382) has the molecular formula C24H28ClN5O4 and a molecular weight of 485.97 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID167229382
Molecular FormulaC24H28ClN5O4
Molecular Weight485.97 g/mol
Exact Mass485.18
IUPAC Name4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)CCC3CCNC3=O)cc2c1Cl
InChIInChI=1S/C24H28ClN5O4/c1-34-20-7-6-17-16(21(20)25)11-19(29-17)24(33)30-18(10-13-2-3-13)23(32)28-15(12-26)5-4-14-8-9-27-22(14)31/h6-7,11,13-15,18,29H,2-5,8-10H2,1H3,(H,27,31)(H,28,32)(H,30,33)/t14?,15-,18-/m0/s1
InChIKeyXBPRAUPRVWAVTQ-UFFKYAFASA-N
XLogP2.65
TPSA136.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide with MolForge

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Related Compounds

4-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166749625
N-[(2S)-1-[[(1S)-1-cyano-3-[(3R)-2-oxopyrrolidin-3-yl]propyl]amino]-5,5,5-trifluoro-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167278841
N-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-(4,4-difluorocyclohexyl)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166749460
N-[1-[[1-cyano-2-(2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166505926
6-bromo-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166840139
4-chloro-N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 170025404
N-[(2S)-1-[[(2S)-4-cyano-3-hydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166893601
N-[(2S)-1-[[2-cyano-1-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166749644
N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide
CID 163499169
N-[1-[[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-fluoro-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 175458554
methyl (2S)-2-[[(2S)-2-[(4-chloro-5-fluoro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 162479572
4,6-dichloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 162479128

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide (CID 167229382) is 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)CCC3CCNC3=O)cc2c1Cl.
What is the InChIKey of 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is XBPRAUPRVWAVTQ-UFFKYAFASA-N. The full InChI is InChI=1S/C24H28ClN5O4/c1-34-20-7-6-17-16(21(20)25)11-19(29-17)24(33)30-18(10-13-2-3-13)23(32)28-15(12-26)5-4-14-8-9-27-22(14)31/h6-7,11,13-15,18,29H,2-5,8-10H2,1H3,(H,27,31)(H,28,32)(H,30,33)/t14?,15-,18-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide?
4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 2.65, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[[(1S)-1-cyano-3-(2-oxopyrrolidin-3-yl)propyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 167229382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).