6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide

C37H33Cl2N7O2 — CID 66987842

IUPAC6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCN1CCN(C(=O)c2cccnc2)CC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C37H33Cl2N7O2/c38-28-10-8-25(9-11-28)23-46-24-42-33(26-5-2-1-3-6-26)35(46)32-30-13-12-29(39)21-31(30)43-34(32)36(47)41-15-16-44-17-19-45(20-18-44)37(48)27-7-4-14-40-22-27/h1-14,21-22,24,43H,15-20,23H2,(H,41,47)
InChIKeyWGBVZXPDYGGNHC-UHFFFAOYSA-N
MW678.62 g/mol
LogP6.64
Rot. Bonds9

About 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide (PubChem CID 66987842) has the molecular formula C37H33Cl2N7O2 and a molecular weight of 678.62 g/mol. Its IUPAC name is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide
PubChem CID66987842
Molecular FormulaC37H33Cl2N7O2
Molecular Weight678.62 g/mol
Exact Mass677.21
IUPAC Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCN1CCN(C(=O)c2cccnc2)CC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C37H33Cl2N7O2/c38-28-10-8-25(9-11-28)23-46-24-42-33(26-5-2-1-3-6-26)35(46)32-30-13-12-29(39)21-31(30)43-34(32)36(47)41-15-16-44-17-19-45(20-18-44)37(48)27-7-4-14-40-22-27/h1-14,21-22,24,43H,15-20,23H2,(H,41,47)
InChIKeyWGBVZXPDYGGNHC-UHFFFAOYSA-N
XLogP6.64
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.62
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide (CID 66987842) is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide is O=C(NCCN1CCN(C(=O)c2cccnc2)CC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)ncn1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is WGBVZXPDYGGNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33Cl2N7O2/c38-28-10-8-25(9-11-28)23-46-24-42-33(26-5-2-1-3-6-26)35(46)32-30-13-12-29(39)21-31(30)43-34(32)36(47)41-15-16-44-17-19-45(20-18-44)37(48)27-7-4-14-40-22-27/h1-14,21-22,24,43H,15-20,23H2,(H,41,47).
What are the key properties of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 678.62 g/mol, XLogP of 6.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 66987842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).