7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C24H26ClF2N5O3 — CID 170005134

IUPAC7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCC1(C)CC(C[C@@H](C#N)NC(=O)[C@H](CC2CC2(F)F)NC(=O)c2cc3cccc(Cl)c3[nH]2)C(=O)N1
InChIInChI=1S/C24H26ClF2N5O3/c1-23(2)9-13(20(33)32-23)6-15(11-28)29-21(34)18(8-14-10-24(14,26)27)31-22(35)17-7-12-4-3-5-16(25)19(12)30-17/h3-5,7,13-15,18,30H,6,8-10H2,1-2H3,(H,29,34)(H,31,35)(H,32,33)/t13?,14?,15-,18-/m0/s1
InChIKeyMEIDJHYZBZOQAP-GULCKSEBSA-N
MW505.95 g/mol
LogP3.28
Rot. Bonds8

About 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 170005134) has the molecular formula C24H26ClF2N5O3 and a molecular weight of 505.95 g/mol. Its IUPAC name is 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID170005134
Molecular FormulaC24H26ClF2N5O3
Molecular Weight505.95 g/mol
Exact Mass505.17
IUPAC Name7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCC1(C)CC(C[C@@H](C#N)NC(=O)[C@H](CC2CC2(F)F)NC(=O)c2cc3cccc(Cl)c3[nH]2)C(=O)N1
InChIInChI=1S/C24H26ClF2N5O3/c1-23(2)9-13(20(33)32-23)6-15(11-28)29-21(34)18(8-14-10-24(14,26)27)31-22(35)17-7-12-4-3-5-16(25)19(12)30-17/h3-5,7,13-15,18,30H,6,8-10H2,1-2H3,(H,29,34)(H,31,35)(H,32,33)/t13?,14?,15-,18-/m0/s1
InChIKeyMEIDJHYZBZOQAP-GULCKSEBSA-N
XLogP3.28
TPSA126.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.95
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 166611623
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 166840690
7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-1H-indole-2-carboxamide
CID 166840673
(2R)-4-(7-chloro-1H-indol-2-yl)-N-[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide
CID 163485989
5,7-dichloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166840411
7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide
CID 166892931
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166611602
(3S)-2-(7-chloro-1H-indole-2-carbonyl)-N-[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]-2-azaspiro[4.5]decane-3-carboxamide
CID 166611612
5-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-4-fluoro-4-methyl-1-oxopentan-2-yl]-7-fluoro-4-methoxy-1H-indole-2-carboxamide
CID 166893247
7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide
CID 166840257
N-[(2S)-1-[[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-fluoro-4-methoxy-1H-indole-2-carboxamide
CID 166840285
N-[(2S)-1-[[(2S)-1-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-oxopropan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide
CID 166893587

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 170005134) is 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is CC1(C)CC(C[C@@H](C#N)NC(=O)[C@H](CC2CC2(F)F)NC(=O)c2cc3cccc(Cl)c3[nH]2)C(=O)N1.
What is the InChIKey of 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is MEIDJHYZBZOQAP-GULCKSEBSA-N. The full InChI is InChI=1S/C24H26ClF2N5O3/c1-23(2)9-13(20(33)32-23)6-15(11-28)29-21(34)18(8-14-10-24(14,26)27)31-22(35)17-7-12-4-3-5-16(25)19(12)30-17/h3-5,7,13-15,18,30H,6,8-10H2,1-2H3,(H,29,34)(H,31,35)(H,32,33)/t13?,14?,15-,18-/m0/s1.
What are the key properties of 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 505.95 g/mol, XLogP of 3.28, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170005134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).