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

C41H40Cl2N8O2 — CID 71155232

IUPAC6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)N3CCCC3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H40Cl2N8O2/c1-26(27-11-13-29(42)14-12-27)51-25-45-36(28-8-3-2-4-9-28)38(51)35-32-16-15-30(43)24-34(32)47-37(35)40(52)48-33-10-7-19-44-39(33)49-22-17-31(18-23-49)46-41(53)50-20-5-6-21-50/h2-4,7-16,19,24-26,31,47H,5-6,17-18,20-23H2,1H3,(H,46,53)(H,48,52)
InChIKeyGXNCCYMUAOOBPN-UHFFFAOYSA-N
MW747.73 g/mol
LogP9.04
Rot. Bonds8

About 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyrrolidine-1-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-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 71155232) has the molecular formula C41H40Cl2N8O2 and a molecular weight of 747.73 g/mol. Its IUPAC name is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyrrolidine-1-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-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71155232
Molecular FormulaC41H40Cl2N8O2
Molecular Weight747.73 g/mol
Exact Mass746.27
IUPAC Name6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)N3CCCC3)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H40Cl2N8O2/c1-26(27-11-13-29(42)14-12-27)51-25-45-36(28-8-3-2-4-9-28)38(51)35-32-16-15-30(43)24-34(32)47-37(35)40(52)48-33-10-7-19-44-39(33)49-22-17-31(18-23-49)46-41(53)50-20-5-6-21-50/h2-4,7-16,19,24-26,31,47H,5-6,17-18,20-23H2,1H3,(H,46,53)(H,48,52)
InChIKeyGXNCCYMUAOOBPN-UHFFFAOYSA-N
XLogP9.04
TPSA111.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.73
LogP ≤ 59.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyrrolidine-1-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-(pyrrolidine-1-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-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (CID 71155232) is 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyrrolidine-1-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-(pyrrolidine-1-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-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(NC(=O)N3CCCC3)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-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is GXNCCYMUAOOBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40Cl2N8O2/c1-26(27-11-13-29(42)14-12-27)51-25-45-36(28-8-3-2-4-9-28)38(51)35-32-16-15-30(43)24-34(32)47-37(35)40(52)48-33-10-7-19-44-39(33)49-22-17-31(18-23-49)46-41(53)50-20-5-6-21-50/h2-4,7-16,19,24-26,31,47H,5-6,17-18,20-23H2,1H3,(H,46,53)(H,48,52).
What are the key properties of 6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(pyrrolidine-1-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-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 747.73 g/mol, XLogP of 9.04, 8 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-[4-(pyrrolidine-1-carbonylamino)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).