6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide

C41H41Cl2N7O3 — CID 71476552

IUPAC6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)C(C)(C)CO)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H41Cl2N7O3/c1-25(26-11-13-28(42)14-12-26)50-24-45-35(27-8-5-4-6-9-27)37(50)34-31-16-15-29(43)22-33(31)47-36(34)39(52)48-32-10-7-19-44-38(32)49-20-17-30(18-21-49)46-40(53)41(2,3)23-51/h4-16,19,22,24-25,30,47,51H,17-18,20-21,23H2,1-3H3,(H,46,53)(H,48,52)/t25-/m0/s1
InChIKeyMZYSWIJSNDPDJO-VWLOTQADSA-N
MW750.73 g/mol
LogP8.37
Rot. Bonds10

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

6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 71476552) has the molecular formula C41H41Cl2N7O3 and a molecular weight of 750.73 g/mol. Its IUPAC name is 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]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-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71476552
Molecular FormulaC41H41Cl2N7O3
Molecular Weight750.73 g/mol
Exact Mass749.26
IUPAC Name6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)C(C)(C)CO)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H41Cl2N7O3/c1-25(26-11-13-28(42)14-12-26)50-24-45-35(27-8-5-4-6-9-27)37(50)34-31-16-15-29(43)22-33(31)47-36(34)39(52)48-32-10-7-19-44-38(32)49-20-17-30(18-21-49)46-40(53)41(2,3)23-51/h4-16,19,22,24-25,30,47,51H,17-18,20-21,23H2,1-3H3,(H,46,53)(H,48,52)/t25-/m0/s1
InChIKeyMZYSWIJSNDPDJO-VWLOTQADSA-N
XLogP8.37
TPSA128.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.73
LogP ≤ 58.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71155775
1-[3-[[6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid
CID 71145045
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(4-phenylpiperazin-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
CID 71155822
N-[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]-6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71155673
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
CID 71155201
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide
CID 71155218
N-[2-[(3R)-1-acetylpyrrolidin-3-yl]oxy-3-pyridinyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71477613
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[(3R)-piperidin-3-yl]oxy-3-pyridinyl]-1H-indole-2-carboxamide
CID 123987839
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-(2-piperidin-3-yloxy-3-pyridinyl)-1H-indole-2-carboxamide
CID 71155665
3-[[6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonyl]amino]-4-methylbenzoic acid
CID 71155470
N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71477306
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[3-(2-oxopyrrolidin-1-yl)propoxy]-3-pyridinyl]-1H-indole-2-carboxamide
CID 71155598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]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-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (CID 71476552) is 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]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-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]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-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is C[C@@H](c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)C(C)(C)CO)CC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is MZYSWIJSNDPDJO-VWLOTQADSA-N. The full InChI is InChI=1S/C41H41Cl2N7O3/c1-25(26-11-13-28(42)14-12-26)50-24-45-35(27-8-5-4-6-9-27)37(50)34-31-16-15-29(43)22-33(31)47-36(34)39(52)48-32-10-7-19-44-38(32)49-20-17-30(18-21-49)46-40(53)41(2,3)23-51/h4-16,19,22,24-25,30,47,51H,17-18,20-21,23H2,1-3H3,(H,46,53)(H,48,52)/t25-/m0/s1.
What are the key properties of 6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 750.73 g/mol, XLogP of 8.37, 10 rotatable bonds, 4 hydrogen bond donors, and 7 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-[2-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71476552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).