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

C42H36Cl2N8O2 — CID 71155207

IUPAC6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)c3cccnc3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C42H36Cl2N8O2/c1-26(27-11-13-30(43)14-12-27)52-25-47-37(28-7-3-2-4-8-28)39(52)36-33-16-15-31(44)23-35(33)49-38(36)42(54)50-34-10-6-20-46-40(34)51-21-17-32(18-22-51)48-41(53)29-9-5-19-45-24-29/h2-16,19-20,23-26,32,49H,17-18,21-22H2,1H3,(H,48,53)(H,50,54)
InChIKeyZHOSJZHTURMIKW-UHFFFAOYSA-N
MW755.71 g/mol
LogP9.06
Rot. Bonds9

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

6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 71155207) has the molecular formula C42H36Cl2N8O2 and a molecular weight of 755.71 g/mol. Its IUPAC name is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71155207
Molecular FormulaC42H36Cl2N8O2
Molecular Weight755.71 g/mol
Exact Mass754.23
IUPAC Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)c3cccnc3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C42H36Cl2N8O2/c1-26(27-11-13-30(43)14-12-27)52-25-47-37(28-7-3-2-4-8-28)39(52)36-33-16-15-31(44)23-35(33)49-38(36)42(54)50-34-10-6-20-46-40(34)51-21-17-32(18-22-51)48-41(53)29-9-5-19-45-24-29/h2-16,19-20,23-26,32,49H,17-18,21-22H2,1H3,(H,48,53)(H,50,54)
InChIKeyZHOSJZHTURMIKW-UHFFFAOYSA-N
XLogP9.06
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.71
LogP ≤ 59.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-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-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (CID 71155207) is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-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-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)c3cccnc3)CC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is ZHOSJZHTURMIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36Cl2N8O2/c1-26(27-11-13-30(43)14-12-27)52-25-47-37(28-7-3-2-4-8-28)39(52)36-33-16-15-31(44)23-35(33)49-38(36)42(54)50-34-10-6-20-46-40(34)51-21-17-32(18-22-51)48-41(53)29-9-5-19-45-24-29/h2-16,19-20,23-26,32,49H,17-18,21-22H2,1H3,(H,48,53)(H,50,54).
What are the key properties of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 755.71 g/mol, XLogP of 9.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 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-[4-(pyridine-3-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).