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

C41H38Cl3N7O2 — CID 71155721

IUPAC6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(N3CCCCC3=O)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H38Cl3N7O2/c1-25(30-14-12-27(42)22-32(30)44)51-24-46-37(26-8-3-2-4-9-26)39(51)36-31-15-13-28(43)23-34(31)47-38(36)41(53)48-33-10-7-18-45-40(33)49-20-16-29(17-21-49)50-19-6-5-11-35(50)52/h2-4,7-10,12-15,18,22-25,29,47H,5-6,11,16-17,19-21H2,1H3,(H,48,53)
InChIKeyBIUICVFUVWQVHE-UHFFFAOYSA-N
MW767.16 g/mol
LogP9.90
Rot. Bonds8

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

6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 71155721) has the molecular formula C41H38Cl3N7O2 and a molecular weight of 767.16 g/mol. Its IUPAC name is 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID71155721
Molecular FormulaC41H38Cl3N7O2
Molecular Weight767.16 g/mol
Exact Mass765.22
IUPAC Name6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(N3CCCCC3=O)CC2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C41H38Cl3N7O2/c1-25(30-14-12-27(42)22-32(30)44)51-24-46-37(26-8-3-2-4-9-26)39(51)36-31-15-13-28(43)23-34(31)47-38(36)41(53)48-33-10-7-18-45-40(33)49-20-16-29(17-21-49)50-19-6-5-11-35(50)52/h2-4,7-10,12-15,18,22-25,29,47H,5-6,11,16-17,19-21H2,1H3,(H,48,53)
InChIKeyBIUICVFUVWQVHE-UHFFFAOYSA-N
XLogP9.90
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.16
LogP ≤ 59.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)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-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide (CID 71155721) is 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is CC(c1ccc(Cl)cc1Cl)n1cnc(-c2ccccc2)c1-c1c(C(=O)Nc2cccnc2N2CCC(N3CCCCC3=O)CC2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is BIUICVFUVWQVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38Cl3N7O2/c1-25(30-14-12-27(42)22-32(30)44)51-24-46-37(26-8-3-2-4-9-26)39(51)36-31-15-13-28(43)23-34(31)47-38(36)41(53)48-33-10-7-18-45-40(33)49-20-16-29(17-21-49)50-19-6-5-11-35(50)52/h2-4,7-10,12-15,18,22-25,29,47H,5-6,11,16-17,19-21H2,1H3,(H,48,53).
What are the key properties of 6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide?
6-chloro-3-[3-[1-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 767.16 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-(2,4-dichlorophenyl)ethyl]-5-phenylimidazol-4-yl]-N-[2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71155721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).