N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C27H36N4O6 — CID 90858302

IUPACN-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)cc12
InChIInChI=1S/C27H36N4O6/c1-37-24-9-5-8-19-18(24)14-22(29-19)27(36)31-21(12-16-6-3-2-4-7-16)26(35)30-20(23(33)15-32)13-17-10-11-28-25(17)34/h5,8-9,14,16-17,20-21,29,32H,2-4,6-7,10-13,15H2,1H3,(H,28,34)(H,30,35)(H,31,36)/t17-,20-,21-/m0/s1
InChIKeyLZRKKUAWIAVFRJ-YYWHXJBOSA-N
MW512.61 g/mol
LogP1.82
Rot. Bonds11

About N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 90858302) has the molecular formula C27H36N4O6 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID90858302
Molecular FormulaC27H36N4O6
Molecular Weight512.61 g/mol
Exact Mass512.26
IUPAC NameN-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)cc12
InChIInChI=1S/C27H36N4O6/c1-37-24-9-5-8-19-18(24)14-22(29-19)27(36)31-21(12-16-6-3-2-4-7-16)26(35)30-20(23(33)15-32)13-17-10-11-28-25(17)34/h5,8-9,14,16-17,20-21,29,32H,2-4,6-7,10-13,15H2,1H3,(H,28,34)(H,30,35)(H,31,36)/t17-,20-,21-/m0/s1
InChIKeyLZRKKUAWIAVFRJ-YYWHXJBOSA-N
XLogP1.82
TPSA149.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 51.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 90858302) is N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO)cc12.
What is the InChIKey of N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is LZRKKUAWIAVFRJ-YYWHXJBOSA-N. The full InChI is InChI=1S/C27H36N4O6/c1-37-24-9-5-8-19-18(24)14-22(29-19)27(36)31-21(12-16-6-3-2-4-7-16)26(35)30-20(23(33)15-32)13-17-10-11-28-25(17)34/h5,8-9,14,16-17,20-21,29,32H,2-4,6-7,10-13,15H2,1H3,(H,28,34)(H,30,35)(H,31,36)/t17-,20-,21-/m0/s1.
What are the key properties of N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 1.82, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cyclohexyl-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 90858302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).