N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide

C23H15F7N4O — CID 139704424

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1nc2cccnc2n1-c1ccc(F)cc1
InChIInChI=1S/C23H15F7N4O/c1-33(12-13-9-14(22(25,26)27)11-15(10-13)23(28,29)30)21(35)20-32-18-3-2-8-31-19(18)34(20)17-6-4-16(24)5-7-17/h2-11H,12H2,1H3
InChIKeyDZNJZRQWKWUGDO-UHFFFAOYSA-N
MW496.39 g/mol
LogP5.87
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 139704424) has the molecular formula C23H15F7N4O and a molecular weight of 496.39 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID139704424
Molecular FormulaC23H15F7N4O
Molecular Weight496.39 g/mol
Exact Mass496.11
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide
SMILESCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1nc2cccnc2n1-c1ccc(F)cc1
InChIInChI=1S/C23H15F7N4O/c1-33(12-13-9-14(22(25,26)27)11-15(10-13)23(28,29)30)21(35)20-32-18-3-2-8-31-19(18)34(20)17-6-4-16(24)5-7-17/h2-11H,12H2,1H3
InChIKeyDZNJZRQWKWUGDO-UHFFFAOYSA-N
XLogP5.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide (CID 139704424) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide is CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1nc2cccnc2n1-c1ccc(F)cc1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is DZNJZRQWKWUGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F7N4O/c1-33(12-13-9-14(22(25,26)27)11-15(10-13)23(28,29)30)21(35)20-32-18-3-2-8-31-19(18)34(20)17-6-4-16(24)5-7-17/h2-11H,12H2,1H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 496.39 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 139704424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).