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

C41H35Cl2N7O — CID 71155822

IUPAC6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(4-phenylpiperazin-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCN(c3ccccc3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H35Cl2N7O/c1-27(28-14-16-30(42)17-15-28)50-26-45-37(29-9-4-2-5-10-29)39(50)36-33-19-18-31(43)25-35(33)46-38(36)41(51)47-34-13-8-20-44-40(34)49-23-21-48(22-24-49)32-11-6-3-7-12-32/h2-20,25-27,46H,21-24H2,1H3,(H,47,51)/t27-/m0/s1
InChIKeyQQPKELSZGGTPCH-MHZLTWQESA-N
MW712.69 g/mol
LogP9.59
Rot. Bonds8

About 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

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 (PubChem CID 71155822) has the molecular formula C41H35Cl2N7O and a molecular weight of 712.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(4-phenylpiperazin-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71155822
Molecular FormulaC41H35Cl2N7O
Molecular Weight712.69 g/mol
Exact Mass711.23
IUPAC Name6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(4-phenylpiperazin-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCN(c3ccccc3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H35Cl2N7O/c1-27(28-14-16-30(42)17-15-28)50-26-45-37(29-9-4-2-5-10-29)39(50)36-33-19-18-31(43)25-35(33)46-38(36)41(51)47-34-13-8-20-44-40(34)49-23-21-48(22-24-49)32-11-6-3-7-12-32/h2-20,25-27,46H,21-24H2,1H3,(H,47,51)/t27-/m0/s1
InChIKeyQQPKELSZGGTPCH-MHZLTWQESA-N
XLogP9.59
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.69
LogP ≤ 59.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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-phenylpiperazin-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-phenylpiperazin-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide (CID 71155822) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCN(c3ccccc3)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-phenylpiperazin-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is QQPKELSZGGTPCH-MHZLTWQESA-N. The full InChI is InChI=1S/C41H35Cl2N7O/c1-27(28-14-16-30(42)17-15-28)50-26-45-37(29-9-4-2-5-10-29)39(50)36-33-19-18-31(43)25-35(33)46-38(36)41(51)47-34-13-8-20-44-40(34)49-23-21-48(22-24-49)32-11-6-3-7-12-32/h2-20,25-27,46H,21-24H2,1H3,(H,47,51)/t27-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 712.69 g/mol, XLogP of 9.59, 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-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(4-phenylpiperazin-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).