N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C36H23F6N5O3 — CID 159005476

IUPACN-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(Nc1ccccc1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C21H14F3N3O.C15H9F3N2O2/c22-21(23,24)15-7-4-6-14(12-15)18-13-27-11-5-10-17(19(27)26-18)20(28)25-16-8-2-1-3-9-16;16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12/h1-13H,(H,25,28);1-8H,(H,21,22)
InChIKeyJRWCJOZWDXQDNP-UHFFFAOYSA-N
MW687.60 g/mol
LogP8.99
Rot. Bonds5

About N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 159005476) has the molecular formula C36H23F6N5O3 and a molecular weight of 687.60 g/mol. Its IUPAC name is N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound NameN-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID159005476
Molecular FormulaC36H23F6N5O3
Molecular Weight687.60 g/mol
Exact Mass687.17
IUPAC NameN-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(Nc1ccccc1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C21H14F3N3O.C15H9F3N2O2/c22-21(23,24)15-7-4-6-14(12-15)18-13-27-11-5-10-17(19(27)26-18)20(28)25-16-8-2-1-3-9-16;16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12/h1-13H,(H,25,28);1-8H,(H,21,22)
InChIKeyJRWCJOZWDXQDNP-UHFFFAOYSA-N
XLogP8.99
TPSA101.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.60
LogP ≤ 58.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10087188, Example 1
CID 121454909
cis-(1S,3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1,3-dimethylcyclohexane-1-carboxylic acid
CID 137649218
2-fluoro-N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 155527082
2-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-5-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]benzoic acid
CID 76901415
US10087188, Example 137
CID 121454963
US10087188, Example 26
CID 121455605
US10087188, Example 23
CID 121455635
US10087188, Example 24
CID 121455749
US10087188, Example 10
CID 121455751
1-{1-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenylcarbamoyl]-2-phenyl-ethyl}-1H-pyrrole-2-carboxylic acid
CID 44293815
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
N-(2,6-difluorophenyl)-3-(3-(2-(3-(pyrrolidin-1-ylmethyl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571765

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 159005476) is N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(Nc1ccccc1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is JRWCJOZWDXQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O.C15H9F3N2O2/c22-21(23,24)15-7-4-6-14(12-15)18-13-27-11-5-10-17(19(27)26-18)20(28)25-16-8-2-1-3-9-16;16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12/h1-13H,(H,25,28);1-8H,(H,21,22).
What are the key properties of N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 687.60 g/mol, XLogP of 8.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 159005476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).