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

C32H26FN5O3 — CID 18993243

IUPAC6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2ccncc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(Oc4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C32H26FN5O3/c1-20-35-28-14-15-34-17-30(28)37(20)18-21-4-6-22(7-5-21)31(39)27-19-38(32(40)36(2)3)29-16-25(12-13-26(27)29)41-24-10-8-23(33)9-11-24/h4-17,19H,18H2,1-3H3
InChIKeyCKTPBSMZAMBJGI-UHFFFAOYSA-N
MW547.59 g/mol
LogP6.43
Rot. Bonds6

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

6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide (PubChem CID 18993243) has the molecular formula C32H26FN5O3 and a molecular weight of 547.59 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide
PubChem CID18993243
Molecular FormulaC32H26FN5O3
Molecular Weight547.59 g/mol
Exact Mass547.20
IUPAC Name6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide
SMILESCc1nc2ccncc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(Oc4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C32H26FN5O3/c1-20-35-28-14-15-34-17-30(28)37(20)18-21-4-6-22(7-5-21)31(39)27-19-38(32(40)36(2)3)29-16-25(12-13-26(27)29)41-24-10-8-23(33)9-11-24/h4-17,19H,18H2,1-3H3
InChIKeyCKTPBSMZAMBJGI-UHFFFAOYSA-N
XLogP6.43
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.59
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide?
The IUPAC name of 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide (CID 18993243) is 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide.
What is the SMILES notation for 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide?
The canonical SMILES for 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide is Cc1nc2ccncc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(Oc4ccc(F)cc4)ccc23)cc1.
What is the InChIKey of 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide?
The InChIKey is CKTPBSMZAMBJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O3/c1-20-35-28-14-15-34-17-30(28)37(20)18-21-4-6-22(7-5-21)31(39)27-19-38(32(40)36(2)3)29-16-25(12-13-26(27)29)41-24-10-8-23(33)9-11-24/h4-17,19H,18H2,1-3H3.
What are the key properties of 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide?
6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide has a molecular weight of 547.59 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide is sourced from PubChem (CID 18993243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).