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

C32H26FN5O2 — CID 10554246

IUPAC6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2ccn(Cc3ccc(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)cc3)cc-2n1
InChIInChI=1S/C32H26FN5O2/c1-20-34-28-14-15-37(19-29(28)35-20)17-21-4-6-23(7-5-21)31(39)27-18-38(32(40)36(2)3)30-16-24(10-13-26(27)30)22-8-11-25(33)12-9-22/h4-16,18-19H,17H2,1-3H3
InChIKeyNQTAJTHUYLXWAO-UHFFFAOYSA-N
MW531.59 g/mol
LogP6.26
Rot. Bonds5

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

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide (PubChem CID 10554246) has the molecular formula C32H26FN5O2 and a molecular weight of 531.59 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide
PubChem CID10554246
Molecular FormulaC32H26FN5O2
Molecular Weight531.59 g/mol
Exact Mass531.21
IUPAC Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2ccn(Cc3ccc(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)cc3)cc-2n1
InChIInChI=1S/C32H26FN5O2/c1-20-34-28-14-15-37(19-29(28)35-20)17-21-4-6-23(7-5-21)31(39)27-18-38(32(40)36(2)3)30-16-24(10-13-26(27)30)22-8-11-25(33)12-9-22/h4-16,18-19H,17H2,1-3H3
InChIKeyNQTAJTHUYLXWAO-UHFFFAOYSA-N
XLogP6.26
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.59
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide (CID 10554246) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide is Cc1nc2ccn(Cc3ccc(C(=O)c4cn(C(=O)N(C)C)c5cc(-c6ccc(F)cc6)ccc45)cc3)cc-2n1.
What is the InChIKey of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide?
The InChIKey is NQTAJTHUYLXWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O2/c1-20-34-28-14-15-37(19-29(28)35-20)17-21-4-6-23(7-5-21)31(39)27-18-38(32(40)36(2)3)30-16-24(10-13-26(27)30)22-8-11-25(33)12-9-22/h4-16,18-19H,17H2,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide?
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-5-yl)methyl]benzoyl]indole-1-carboxamide is sourced from PubChem (CID 10554246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).