4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide

C32H26FN5O2 — CID 67758948

IUPAC4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide
SMILESCc1nc2c(Cc3cccc(C(=O)c4c[nH]c5cc(-c6ccc(F)cc6)ccc45)c3)nccc2n1C(=O)N(C)C
InChIInChI=1S/C32H26FN5O2/c1-19-36-30-28(34-14-13-29(30)38(19)32(40)37(2)3)16-20-5-4-6-23(15-20)31(39)26-18-35-27-17-22(9-12-25(26)27)21-7-10-24(33)11-8-21/h4-15,17-18,35H,16H2,1-3H3
InChIKeyRKNMKTFBKSCTDM-UHFFFAOYSA-N
MW531.59 g/mol
LogP6.38
Rot. Bonds5

About 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide

4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide (PubChem CID 67758948) has the molecular formula C32H26FN5O2 and a molecular weight of 531.59 g/mol. Its IUPAC name is 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide
PubChem CID67758948
Molecular FormulaC32H26FN5O2
Molecular Weight531.59 g/mol
Exact Mass531.21
IUPAC Name4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide
SMILESCc1nc2c(Cc3cccc(C(=O)c4c[nH]c5cc(-c6ccc(F)cc6)ccc45)c3)nccc2n1C(=O)N(C)C
InChIInChI=1S/C32H26FN5O2/c1-19-36-30-28(34-14-13-29(30)38(19)32(40)37(2)3)16-20-5-4-6-23(15-20)31(39)26-18-35-27-17-22(9-12-25(26)27)21-7-10-24(33)11-8-21/h4-15,17-18,35H,16H2,1-3H3
InChIKeyRKNMKTFBKSCTDM-UHFFFAOYSA-N
XLogP6.38
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.59
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide?
The IUPAC name of 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide (CID 67758948) is 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide.
What is the SMILES notation for 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide?
The canonical SMILES for 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide is Cc1nc2c(Cc3cccc(C(=O)c4c[nH]c5cc(-c6ccc(F)cc6)ccc45)c3)nccc2n1C(=O)N(C)C.
What is the InChIKey of 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide?
The InChIKey is RKNMKTFBKSCTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O2/c1-19-36-30-28(34-14-13-29(30)38(19)32(40)37(2)3)16-20-5-4-6-23(15-20)31(39)26-18-35-27-17-22(9-12-25(26)27)21-7-10-24(33)11-8-21/h4-15,17-18,35H,16H2,1-3H3.
What are the key properties of 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide?
4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[6-(4-fluorophenyl)-1H-indole-3-carbonyl]phenyl]methyl]-N,N,2-trimethylimidazo[4,5-c]pyridine-1-carboxamide is sourced from PubChem (CID 67758948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).