6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine

C47H40F10N8O3 — CID 158271154

IUPAC6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine
SMILESC.CC(F)(F)c1ccc(C(=O)O)cn1.CN(C(=O)c1ccc(C(C)(F)F)nc1)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1.CNc1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C23H17F5N4O.C15H12F3N3.C8H7F2NO2.CH4/c1-22(24,25)20-8-5-15(12-29-20)21(33)31(2)17-9-10-32-19(11-17)18(13-30-32)14-3-6-16(7-4-14)23(26,27)28;1-19-12-6-7-21-14(8-12)13(9-20-21)10-2-4-11(5-3-10)15(16,17)18;1-8(9,10)6-3-2-5(4-11-6)7(12)13;/h3-13H,1-2H3;2-9,19H,1H3;2-4H,1H3,(H,12,13);1H4
InChIKeyGJAVLGHDXZMBDE-UHFFFAOYSA-N
MW954.87 g/mol
LogP12.39
Rot. Bonds8

About 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine

6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine (PubChem CID 158271154) has the molecular formula C47H40F10N8O3 and a molecular weight of 954.87 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine
PubChem CID158271154
Molecular FormulaC47H40F10N8O3
Molecular Weight954.87 g/mol
Exact Mass954.31
IUPAC Name6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine
SMILESC.CC(F)(F)c1ccc(C(=O)O)cn1.CN(C(=O)c1ccc(C(C)(F)F)nc1)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1.CNc1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C23H17F5N4O.C15H12F3N3.C8H7F2NO2.CH4/c1-22(24,25)20-8-5-15(12-29-20)21(33)31(2)17-9-10-32-19(11-17)18(13-30-32)14-3-6-16(7-4-14)23(26,27)28;1-19-12-6-7-21-14(8-12)13(9-20-21)10-2-4-11(5-3-10)15(16,17)18;1-8(9,10)6-3-2-5(4-11-6)7(12)13;/h3-13H,1-2H3;2-9,19H,1H3;2-4H,1H3,(H,12,13);1H4
InChIKeyGJAVLGHDXZMBDE-UHFFFAOYSA-N
XLogP12.39
TPSA130.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.87
LogP ≤ 512.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine with MolForge

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Related Compounds

5-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridine-3-carboxylic acid
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5''-(2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6''-phenyl-[2,3''-bipyridine]-5-carboxylic acid
CID 118411513
TrkA-IN-3
CID 166176996
US12473304, Example 371
CID 156829507
4-[4-[2-[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]ethyl]piperidin-1-yl]benzoic acid
CID 16660328
4-[3-[2-[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylindol-1-yl]ethyl]pyrrolidin-1-yl]benzoic acid
CID 25100115
5-[4-methyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 68045371
5-[4,7,7-Trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 68045461
2-Methyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 68045475
5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 68045685
(9aS)-5-oxo-4-[4-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizine-3-carboxylic acid
CID 69515642
(9aS)-5-oxo-4-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizine-3-carboxylic acid
CID 69744742

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine (CID 158271154) is 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine is C.CC(F)(F)c1ccc(C(=O)O)cn1.CN(C(=O)c1ccc(C(C)(F)F)nc1)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1.CNc1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is GJAVLGHDXZMBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N4O.C15H12F3N3.C8H7F2NO2.CH4/c1-22(24,25)20-8-5-15(12-29-20)21(33)31(2)17-9-10-32-19(11-17)18(13-30-32)14-3-6-16(7-4-14)23(26,27)28;1-19-12-6-7-21-14(8-12)13(9-20-21)10-2-4-11(5-3-10)15(16,17)18;1-8(9,10)6-3-2-5(4-11-6)7(12)13;/h3-13H,1-2H3;2-9,19H,1H3;2-4H,1H3,(H,12,13);1H4.
What are the key properties of 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine?
6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 954.87 g/mol, XLogP of 12.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-N-methyl-N-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]pyridine-3-carboxamide;6-(1,1-difluoroethyl)pyridine-3-carboxylic acid;methane;N-methyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 158271154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).