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

C41H41Cl2N7O — CID 78016214

IUPAC6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2ccncc2N2CCN(C3CCCCC3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H41Cl2N7O/c1-27(28-12-14-30(42)15-13-28)50-26-45-38(29-8-4-2-5-9-29)40(50)37-33-17-16-31(43)24-35(33)46-39(37)41(51)47-34-18-19-44-25-36(34)49-22-20-48(21-23-49)32-10-6-3-7-11-32/h2,4-5,8-9,12-19,24-27,32,46H,3,6-7,10-11,20-23H2,1H3,(H,44,47,51)
InChIKeyLHFXKXIHBBBROR-UHFFFAOYSA-N
MW718.73 g/mol
LogP9.72
Rot. Bonds8

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

6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 78016214) has the molecular formula C41H41Cl2N7O and a molecular weight of 718.73 g/mol. Its IUPAC name is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide
PubChem CID78016214
Molecular FormulaC41H41Cl2N7O
Molecular Weight718.73 g/mol
Exact Mass717.27
IUPAC Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2ccncc2N2CCN(C3CCCCC3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H41Cl2N7O/c1-27(28-12-14-30(42)15-13-28)50-26-45-38(29-8-4-2-5-9-29)40(50)37-33-17-16-31(43)24-35(33)46-39(37)41(51)47-34-18-19-44-25-36(34)49-22-20-48(21-23-49)32-10-6-3-7-11-32/h2,4-5,8-9,12-19,24-27,32,46H,3,6-7,10-11,20-23H2,1H3,(H,44,47,51)
InChIKeyLHFXKXIHBBBROR-UHFFFAOYSA-N
XLogP9.72
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.73
LogP ≤ 59.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide (CID 78016214) is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2ccncc2N2CCN(C3CCCCC3)CC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is LHFXKXIHBBBROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41Cl2N7O/c1-27(28-12-14-30(42)15-13-28)50-26-45-38(29-8-4-2-5-9-29)40(50)37-33-17-16-31(43)24-35(33)46-39(37)41(51)47-34-18-19-44-25-36(34)49-22-20-48(21-23-49)32-10-6-3-7-11-32/h2,4-5,8-9,12-19,24-27,32,46H,3,6-7,10-11,20-23H2,1H3,(H,44,47,51).
What are the key properties of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 718.73 g/mol, XLogP of 9.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)-4-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 78016214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).