(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

C25H29ClN4O3 — CID 163485989

IUPAC(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
SMILESCC1(C)CC(C[C@@H](C#N)NC(=O)[C@@H](CC(=O)c2cc3cccc(Cl)c3[nH]2)CC2CC2)C(=O)N1
InChIInChI=1S/C25H29ClN4O3/c1-25(2)12-17(24(33)30-25)9-18(13-27)28-23(32)16(8-14-6-7-14)11-21(31)20-10-15-4-3-5-19(26)22(15)29-20/h3-5,10,14,16-18,29H,6-9,11-12H2,1-2H3,(H,28,32)(H,30,33)/t16-,17?,18+/m1/s1
InChIKeyCIOZVSPESBCVIE-BLAYRMRBSA-N
MW468.99 g/mol
LogP4.12
Rot. Bonds9

About (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

(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 (PubChem CID 163485989) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163485989
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name(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
SMILESCC1(C)CC(C[C@@H](C#N)NC(=O)[C@@H](CC(=O)c2cc3cccc(Cl)c3[nH]2)CC2CC2)C(=O)N1
InChIInChI=1S/C25H29ClN4O3/c1-25(2)12-17(24(33)30-25)9-18(13-27)28-23(32)16(8-14-6-7-14)11-21(31)20-10-15-4-3-5-19(26)22(15)29-20/h3-5,10,14,16-18,29H,6-9,11-12H2,1-2H3,(H,28,32)(H,30,33)/t16-,17?,18+/m1/s1
InChIKeyCIOZVSPESBCVIE-BLAYRMRBSA-N
XLogP4.12
TPSA114.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(2R)-4-(5-chloro-7-fluoro-4-methoxy-1H-indol-2-yl)-N-[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide
CID 163690469
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
(2R)-2-[2-(7-chloro-1H-indol-2-yl)-2-oxoethyl]-N-[(1S)-1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-4,4-dimethylpentanamide
CID 167626525
(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
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)-N-[(1S)-1-cyano-2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
CID 163444399
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
(2R)-N-[(1S)-2-[(1R)-4-chloro-2-oxo-1,3-dihydroinden-1-yl]-1-cyanoethyl]-2-(cyclopropylmethyl)-4-(4-methoxy-1H-indol-2-yl)-4-oxobutanamide
CID 163811675
4-(4-chloro-1H-benzimidazol-2-yl)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-(cyclopropylmethyl)-4-oxobutanamide
CID 163515913
(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
CID 163616314

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)CC(C[C@@H](C#N)NC(=O)[C@@H](CC(=O)c2cc3cccc(Cl)c3[nH]2)CC2CC2)C(=O)N1.
What is the InChIKey of (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?
The InChIKey is CIOZVSPESBCVIE-BLAYRMRBSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-25(2)12-17(24(33)30-25)9-18(13-27)28-23(32)16(8-14-6-7-14)11-21(31)20-10-15-4-3-5-19(26)22(15)29-20/h3-5,10,14,16-18,29H,6-9,11-12H2,1-2H3,(H,28,32)(H,30,33)/t16-,17?,18+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 468.99 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 163485989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).