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

C37H34Cl2N6O2 — CID 71155218

IUPAC6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2OCC2CCNCC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C37H34Cl2N6O2/c1-23(25-9-11-27(38)12-10-25)45-22-42-33(26-6-3-2-4-7-26)35(45)32-29-14-13-28(39)20-31(29)43-34(32)36(46)44-30-8-5-17-41-37(30)47-21-24-15-18-40-19-16-24/h2-14,17,20,22-24,40,43H,15-16,18-19,21H2,1H3,(H,44,46)
InChIKeyNOGKLTCGQYSYBC-UHFFFAOYSA-N
MW665.63 g/mol
LogP8.64
Rot. Bonds9

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

6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 71155218) has the molecular formula C37H34Cl2N6O2 and a molecular weight of 665.63 g/mol. Its IUPAC name is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71155218
Molecular FormulaC37H34Cl2N6O2
Molecular Weight665.63 g/mol
Exact Mass664.21
IUPAC Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2OCC2CCNCC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C37H34Cl2N6O2/c1-23(25-9-11-27(38)12-10-25)45-22-42-33(26-6-3-2-4-7-26)35(45)32-29-14-13-28(39)20-31(29)43-34(32)36(46)44-30-8-5-17-41-37(30)47-21-24-15-18-40-19-16-24/h2-14,17,20,22-24,40,43H,15-16,18-19,21H2,1H3,(H,44,46)
InChIKeyNOGKLTCGQYSYBC-UHFFFAOYSA-N
XLogP8.64
TPSA96.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.63
LogP ≤ 58.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 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) is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2OCC2CCNCC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is NOGKLTCGQYSYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34Cl2N6O2/c1-23(25-9-11-27(38)12-10-25)45-22-42-33(26-6-3-2-4-7-26)35(45)32-29-14-13-28(39)20-31(29)43-34(32)36(46)44-30-8-5-17-41-37(30)47-21-24-15-18-40-19-16-24/h2-14,17,20,22-24,40,43H,15-16,18-19,21H2,1H3,(H,44,46).
What are the key properties of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 665.63 g/mol, XLogP of 8.64, 9 rotatable bonds, 3 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-(piperidin-4-ylmethoxy)-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).