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]-7-chloro-5-methoxy-1H-indole-2-carboxamide

C26H36ClN5O5 — CID 166893508

IUPACN-[(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]-7-chloro-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1cc(Cl)c2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CC(C)(C)NC3=O)C(N)=O)cc2c1
InChIInChI=1S/C26H36ClN5O5/c1-25(2,3)12-19(24(36)30-17(21(28)33)9-14-11-26(4,5)32-22(14)34)31-23(35)18-8-13-7-15(37-6)10-16(27)20(13)29-18/h7-8,10,14,17,19,29H,9,11-12H2,1-6H3,(H2,28,33)(H,30,36)(H,31,35)(H,32,34)/t14-,17+,19+/m1/s1
InChIKeyIQUUCPZCDDVJJG-LJHODMEESA-N
MW534.06 g/mol
LogP2.64
Rot. Bonds9

About 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide

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]-7-chloro-5-methoxy-1H-indole-2-carboxamide (PubChem CID 166893508) has the molecular formula C26H36ClN5O5 and a molecular weight of 534.06 g/mol. Its IUPAC name is 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(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]-7-chloro-5-methoxy-1H-indole-2-carboxamide
PubChem CID166893508
Molecular FormulaC26H36ClN5O5
Molecular Weight534.06 g/mol
Exact Mass533.24
IUPAC NameN-[(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]-7-chloro-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1cc(Cl)c2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CC(C)(C)NC3=O)C(N)=O)cc2c1
InChIInChI=1S/C26H36ClN5O5/c1-25(2,3)12-19(24(36)30-17(21(28)33)9-14-11-26(4,5)32-22(14)34)31-23(35)18-8-13-7-15(37-6)10-16(27)20(13)29-18/h7-8,10,14,17,19,29H,9,11-12H2,1-6H3,(H2,28,33)(H,30,36)(H,31,35)(H,32,34)/t14-,17+,19+/m1/s1
InChIKeyIQUUCPZCDDVJJG-LJHODMEESA-N
XLogP2.64
TPSA155.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 52.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 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]-7-chloro-5-methoxy-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-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
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
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
N-[(2S)-1-[[(2S)-1-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-1-oxopropan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-chloro-7-fluoro-4-methoxy-1H-indole-2-carboxamide
CID 166893073
7-chloro-N-[1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-methoxy-1H-indole-2-carboxamide
CID 170026515
tert-butyl N-[1-[[1-[[1-amino-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-1-oxopropan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 175458022
methyl (2S)-2-[[(2S)-4,4-dimethyl-2-(methylamino)pentanoyl]amino]-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]propanoate
CID 166893534
N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-7-chloro-4-methoxy-1H-indole-2-carboxamide
CID 162478974
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-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-chloro-4-methoxy-1H-indole-2-carboxamide
CID 162478855
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
(2R)-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanamide;7-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide;methyl (2S)-2-[[(2R)-4-(7-chloro-5-methoxy-1H-indol-2-yl)-2-(cyclopropylmethyl)-4-oxobutanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 167547827

Frequently Asked Questions

What is the IUPAC name of 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide (CID 166893508) is 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide is COc1cc(Cl)c2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CC(C)(C)NC3=O)C(N)=O)cc2c1.
What is the InChIKey of 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is IQUUCPZCDDVJJG-LJHODMEESA-N. The full InChI is InChI=1S/C26H36ClN5O5/c1-25(2,3)12-19(24(36)30-17(21(28)33)9-14-11-26(4,5)32-22(14)34)31-23(35)18-8-13-7-15(37-6)10-16(27)20(13)29-18/h7-8,10,14,17,19,29H,9,11-12H2,1-6H3,(H2,28,33)(H,30,36)(H,31,35)(H,32,34)/t14-,17+,19+/m1/s1.
What are the key properties of 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide?
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]-7-chloro-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 534.06 g/mol, XLogP of 2.64, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-7-chloro-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 166893508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).