6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

C35H28FN7O2 — CID 18993269

IUPAC6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)NCCc3cnc[nH]3)c3cc(-c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C35H28FN7O2/c1-22-41-31-18-37-14-13-32(31)42(22)19-23-2-4-25(5-3-23)34(44)30-20-43(35(45)39-15-12-28-17-38-21-40-28)33-16-26(8-11-29(30)33)24-6-9-27(36)10-7-24/h2-11,13-14,16-18,20-21H,12,15,19H2,1H3,(H,38,40)(H,39,45)
InChIKeyLFNXGXNDKCZKKY-UHFFFAOYSA-N
MW597.65 g/mol
LogP6.30
Rot. Bonds8

About 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide

6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (PubChem CID 18993269) has the molecular formula C35H28FN7O2 and a molecular weight of 597.65 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
PubChem CID18993269
Molecular FormulaC35H28FN7O2
Molecular Weight597.65 g/mol
Exact Mass597.23
IUPAC Name6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)NCCc3cnc[nH]3)c3cc(-c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C35H28FN7O2/c1-22-41-31-18-37-14-13-32(31)42(22)19-23-2-4-25(5-3-23)34(44)30-20-43(35(45)39-15-12-28-17-38-21-40-28)33-16-26(8-11-29(30)33)24-6-9-27(36)10-7-24/h2-11,13-14,16-18,20-21H,12,15,19H2,1H3,(H,38,40)(H,39,45)
InChIKeyLFNXGXNDKCZKKY-UHFFFAOYSA-N
XLogP6.30
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.65
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide (CID 18993269) is 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)NCCc3cnc[nH]3)c3cc(-c4ccc(F)cc4)ccc23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
The InChIKey is LFNXGXNDKCZKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28FN7O2/c1-22-41-31-18-37-14-13-32(31)42(22)19-23-2-4-25(5-3-23)34(44)30-20-43(35(45)39-15-12-28-17-38-21-40-28)33-16-26(8-11-29(30)33)24-6-9-27(36)10-7-24/h2-11,13-14,16-18,20-21H,12,15,19H2,1H3,(H,38,40)(H,39,45).
What are the key properties of 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide?
6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide has a molecular weight of 597.65 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide is sourced from PubChem (CID 18993269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).