1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide

C27H31N5O3 — CID 11225254

IUPAC1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide
SMILESCc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1
InChIInChI=1S/C27H31N5O3/c1-19-5-7-20(8-6-19)3-2-4-26(34)30-22-10-9-21-11-13-31(25(21)15-22)14-12-23(17-33)32-16-24(27(28)35)29-18-32/h5-11,13,15-16,18,23,33H,2-4,12,14,17H2,1H3,(H2,28,35)(H,30,34)/t23-/m1/s1
InChIKeyYYZBYPRSQIYLES-HSZRJFAPSA-N
MW473.58 g/mol
LogP3.83
Rot. Bonds11

About 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide

1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide (PubChem CID 11225254) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide
PubChem CID11225254
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide
SMILESCc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1
InChIInChI=1S/C27H31N5O3/c1-19-5-7-20(8-6-19)3-2-4-26(34)30-22-10-9-21-11-13-31(25(21)15-22)14-12-23(17-33)32-16-24(27(28)35)29-18-32/h5-11,13,15-16,18,23,33H,2-4,12,14,17H2,1H3,(H2,28,35)(H,30,34)/t23-/m1/s1
InChIKeyYYZBYPRSQIYLES-HSZRJFAPSA-N
XLogP3.83
TPSA115.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-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 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide (CID 11225254) is 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide is Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1.
What is the InChIKey of 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide?
The InChIKey is YYZBYPRSQIYLES-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-19-5-7-20(8-6-19)3-2-4-26(34)30-22-10-9-21-11-13-31(25(21)15-22)14-12-23(17-33)32-16-24(27(28)35)29-18-32/h5-11,13,15-16,18,23,33H,2-4,12,14,17H2,1H3,(H2,28,35)(H,30,34)/t23-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide?
1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.83, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-4-[6-[4-(4-methylphenyl)butanoylamino]indol-1-yl]butan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 11225254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).