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

C40H35Cl2N7O — CID 71155752

IUPAC6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2ccnn2C2CCN(c3ccccc3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C40H35Cl2N7O/c1-26(27-12-14-29(41)15-13-27)48-25-43-37(28-8-4-2-5-9-28)39(48)36-33-17-16-30(42)24-34(33)45-38(36)40(50)46-35-18-21-44-49(35)32-19-22-47(23-20-32)31-10-6-3-7-11-31/h2-18,21,24-26,32,45H,19-20,22-23H2,1H3,(H,46,50)
InChIKeyKSAUKLOFJKFCSO-UHFFFAOYSA-N
MW700.67 g/mol
LogP9.90
Rot. Bonds8

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

6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide (PubChem CID 71155752) has the molecular formula C40H35Cl2N7O and a molecular weight of 700.67 g/mol. Its IUPAC name is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide
PubChem CID71155752
Molecular FormulaC40H35Cl2N7O
Molecular Weight700.67 g/mol
Exact Mass699.23
IUPAC Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2ccnn2C2CCN(c3ccccc3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C40H35Cl2N7O/c1-26(27-12-14-29(41)15-13-27)48-25-43-37(28-8-4-2-5-9-28)39(48)36-33-17-16-30(42)24-34(33)45-38(36)40(50)46-35-18-21-44-49(35)32-19-22-47(23-20-32)31-10-6-3-7-11-31/h2-18,21,24-26,32,45H,19-20,22-23H2,1H3,(H,46,50)
InChIKeyKSAUKLOFJKFCSO-UHFFFAOYSA-N
XLogP9.90
TPSA83.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.67
LogP ≤ 59.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-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-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide (CID 71155752) is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2ccnn2C2CCN(c3ccccc3)CC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide?
The InChIKey is KSAUKLOFJKFCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35Cl2N7O/c1-26(27-12-14-29(41)15-13-27)48-25-43-37(28-8-4-2-5-9-28)39(48)36-33-17-16-30(42)24-34(33)45-38(36)40(50)46-35-18-21-44-49(35)32-19-22-47(23-20-32)31-10-6-3-7-11-31/h2-18,21,24-26,32,45H,19-20,22-23H2,1H3,(H,46,50).
What are the key properties of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide has a molecular weight of 700.67 g/mol, XLogP of 9.90, 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-[2-(1-phenylpiperidin-4-yl)pyrazol-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).