N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C26H28N6O4 — CID 162478815

IUPACN-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(C#N)Cn3c(=O)[nH]c4ccccc43)cc12
InChIInChI=1S/C26H28N6O4/c1-15(2)11-20(30-25(34)21-12-17-18(29-21)8-6-10-23(17)36-3)24(33)28-16(13-27)14-32-22-9-5-4-7-19(22)31-26(32)35/h4-10,12,15-16,20,29H,11,14H2,1-3H3,(H,28,33)(H,30,34)(H,31,35)
InChIKeyUJUFMXCTOMQBCB-UHFFFAOYSA-N
MW488.55 g/mol
LogP2.67
Rot. Bonds9

About N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 162478815) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID162478815
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC NameN-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(C#N)Cn3c(=O)[nH]c4ccccc43)cc12
InChIInChI=1S/C26H28N6O4/c1-15(2)11-20(30-25(34)21-12-17-18(29-21)8-6-10-23(17)36-3)24(33)28-16(13-27)14-32-22-9-5-4-7-19(22)31-26(32)35/h4-10,12,15-16,20,29H,11,14H2,1-3H3,(H,28,33)(H,30,34)(H,31,35)
InChIKeyUJUFMXCTOMQBCB-UHFFFAOYSA-N
XLogP2.67
TPSA144.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-[[1-cyano-2-(2-oxo-1H-pyridin-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162466407
N-[(2S)-1-[[(1S)-1-cyano-2-pyridin-3-ylethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162396201
N-[(2S)-1-[[(1S)-1-cyano-2-(2H-indazol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162396204
N-[1-[[1-cyano-2-(1-methylimidazol-4-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162479409
N-[(2S)-1-[[(1R,2S)-1-cyano-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162396181
N-[(2S)-1-[[(2S)-1-cyano-1-(1,3-dihydroisoindol-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166749589
N-[1-[[1-cyano-3-(2-oxopyrrolidin-3-yl)-1-pyrrolidin-1-ylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166749480
N-[(2S)-1-[2-(cyanomethyl)-2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 165384450
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
N-[1-[[1-chloro-6-(dimethylamino)-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 72989602
N-methoxy-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-N,N',N'-trimethylpentanediamide
CID 143239747
(2S)-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
CID 156847051

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 162478815) is N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(C#N)Cn3c(=O)[nH]c4ccccc43)cc12.
What is the InChIKey of N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is UJUFMXCTOMQBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-15(2)11-20(30-25(34)21-12-17-18(29-21)8-6-10-23(17)36-3)24(33)28-16(13-27)14-32-22-9-5-4-7-19(22)31-26(32)35/h4-10,12,15-16,20,29H,11,14H2,1-3H3,(H,28,33)(H,30,34)(H,31,35).
What are the key properties of N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 2.67, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-cyano-2-(2-oxo-3H-benzimidazol-1-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 162478815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).