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

C31H24FN5O2 — CID 11800062

IUPAC6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1-c1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C31H24FN5O2/c1-19-34-27-17-33-15-14-28(27)37(19)24-11-6-21(7-12-24)30(38)26-18-36(31(39)35(2)3)29-16-22(8-13-25(26)29)20-4-9-23(32)10-5-20/h4-18H,1-3H3
InChIKeyIZPHTZWKYLANST-UHFFFAOYSA-N
MW517.56 g/mol
LogP6.25
Rot. Bonds4

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

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide (PubChem CID 11800062) has the molecular formula C31H24FN5O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide
PubChem CID11800062
Molecular FormulaC31H24FN5O2
Molecular Weight517.56 g/mol
Exact Mass517.19
IUPAC Name6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide
SMILESCc1nc2cnccc2n1-c1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1
InChIInChI=1S/C31H24FN5O2/c1-19-34-27-17-33-15-14-28(27)37(19)24-11-6-21(7-12-24)30(38)26-18-36(31(39)35(2)3)29-16-22(8-13-25(26)29)20-4-9-23(32)10-5-20/h4-18H,1-3H3
InChIKeyIZPHTZWKYLANST-UHFFFAOYSA-N
XLogP6.25
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.56
LogP ≤ 56.25
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-1-yl)benzoyl]indole-1-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide (CID 11800062) is 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide is Cc1nc2cnccc2n1-c1ccc(C(=O)c2cn(C(=O)N(C)C)c3cc(-c4ccc(F)cc4)ccc23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide?
The InChIKey is IZPHTZWKYLANST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24FN5O2/c1-19-34-27-17-33-15-14-28(27)37(19)24-11-6-21(7-12-24)30(38)26-18-36(31(39)35(2)3)29-16-22(8-13-25(26)29)20-4-9-23(32)10-5-20/h4-18H,1-3H3.
What are the key properties of 6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide?
6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]indole-1-carboxamide has a molecular weight of 517.56 g/mol, XLogP of 6.25, 4 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-1-yl)benzoyl]indole-1-carboxamide is sourced from PubChem (CID 11800062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).