N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide

C24H29ClN4O4 — CID 167654724

IUPACN-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide
SMILESNC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1)C[C@@H]1CCCNC1=O
InChIInChI=1S/C24H29ClN4O4/c25-17-6-5-14-10-20(28-18(14)12-17)24(33)29-19(8-13-3-4-13)21(30)11-16(22(26)31)9-15-2-1-7-27-23(15)32/h5-6,10,12-13,15-16,19,28H,1-4,7-9,11H2,(H2,26,31)(H,27,32)(H,29,33)/t15-,16+,19-/m0/s1
InChIKeyUFYNMYXCBATUNB-FCEWJHQRSA-N
MW472.97 g/mol
LogP2.70
Rot. Bonds10

About N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide

N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide (PubChem CID 167654724) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide
PubChem CID167654724
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC NameN-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide
SMILESNC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1)C[C@@H]1CCCNC1=O
InChIInChI=1S/C24H29ClN4O4/c25-17-6-5-14-10-20(28-18(14)12-17)24(33)29-19(8-13-3-4-13)21(30)11-16(22(26)31)9-15-2-1-7-27-23(15)32/h5-6,10,12-13,15-16,19,28H,1-4,7-9,11H2,(H2,26,31)(H,27,32)(H,29,33)/t15-,16+,19-/m0/s1
InChIKeyUFYNMYXCBATUNB-FCEWJHQRSA-N
XLogP2.70
TPSA134.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide 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

N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-chloro-1H-indole-2-carboxamide
CID 162479164
methyl (2S)-2-[[(2S)-2-[(6-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 162479057
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6,7-dichloro-1H-indole-2-carboxamide
CID 162478927
N-[(2S)-1-[[1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-chloro-1H-indole-2-carboxamide
CID 167523907
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-isocyano-1H-indole-2-carboxamide
CID 162479497
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
N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(6-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxamide
CID 166494827
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
6-chloro-N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 166749612
methyl 2-[[2-[(7-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 175458447
methyl 2-[[2-[(4-chloro-1H-indole-2-carbonyl)amino]-3-cyclopropylpropanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
CID 175458515
5-chloro-N-[1-[[1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 175458062

Frequently Asked Questions

What is the IUPAC name of N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide (CID 167654724) is N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide is NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc2ccc(Cl)cc2[nH]1)C[C@@H]1CCCNC1=O.
What is the InChIKey of N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide?
The InChIKey is UFYNMYXCBATUNB-FCEWJHQRSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c25-17-6-5-14-10-20(28-18(14)12-17)24(33)29-19(8-13-3-4-13)21(30)11-16(22(26)31)9-15-2-1-7-27-23(15)32/h5-6,10,12-13,15-16,19,28H,1-4,7-9,11H2,(H2,26,31)(H,27,32)(H,29,33)/t15-,16+,19-/m0/s1.
What are the key properties of N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide?
N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide has a molecular weight of 472.97 g/mol, XLogP of 2.70, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5R)-6-amino-1-cyclopropyl-3,6-dioxo-5-[[(3S)-2-oxopiperidin-3-yl]methyl]hexan-2-yl]-6-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 167654724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).