6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide

C40H38Cl2N8O2 — CID 71155758

IUPAC6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCc1cnc(N2CCC(N3CCNC3=O)CC2)c(NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2[C@@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C40H38Cl2N8O2/c1-24-20-33(38(44-22-24)48-17-14-30(15-18-48)49-19-16-43-40(49)52)47-39(51)36-34(31-13-12-29(42)21-32(31)46-36)37-35(27-6-4-3-5-7-27)45-23-50(37)25(2)26-8-10-28(41)11-9-26/h3-13,20-23,25,30,46H,14-19H2,1-2H3,(H,43,52)(H,47,51)/t25-/m0/s1
InChIKeyJTJZQHPHJWGZDH-VWLOTQADSA-N
MW733.70 g/mol
LogP8.56
Rot. Bonds8

About 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide

6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 71155758) has the molecular formula C40H38Cl2N8O2 and a molecular weight of 733.70 g/mol. Its IUPAC name is 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71155758
Molecular FormulaC40H38Cl2N8O2
Molecular Weight733.70 g/mol
Exact Mass732.25
IUPAC Name6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCc1cnc(N2CCC(N3CCNC3=O)CC2)c(NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2[C@@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C40H38Cl2N8O2/c1-24-20-33(38(44-22-24)48-17-14-30(15-18-48)49-19-16-43-40(49)52)47-39(51)36-34(31-13-12-29(42)21-32(31)46-36)37-35(27-6-4-3-5-7-27)45-23-50(37)25(2)26-8-10-28(41)11-9-26/h3-13,20-23,25,30,46H,14-19H2,1-2H3,(H,43,52)(H,47,51)/t25-/m0/s1
InChIKeyJTJZQHPHJWGZDH-VWLOTQADSA-N
XLogP8.56
TPSA111.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.70
LogP ≤ 58.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-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 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (CID 71155758) is 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is Cc1cnc(N2CCC(N3CCNC3=O)CC2)c(NC(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2[C@@H](C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is JTJZQHPHJWGZDH-VWLOTQADSA-N. The full InChI is InChI=1S/C40H38Cl2N8O2/c1-24-20-33(38(44-22-24)48-17-14-30(15-18-48)49-19-16-43-40(49)52)47-39(51)36-34(31-13-12-29(42)21-32(31)46-36)37-35(27-6-4-3-5-7-27)45-23-50(37)25(2)26-8-10-28(41)11-9-26/h3-13,20-23,25,30,46H,14-19H2,1-2H3,(H,43,52)(H,47,51)/t25-/m0/s1.
What are the key properties of 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 733.70 g/mol, XLogP of 8.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).