2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid

C40H39F6N9O7 — CID 165004566

IUPAC2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cn2n1.CC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(N)=O)cn2n1
InChIInChI=1S/C20H20F3N5O3.C20H19F3N4O4/c1-19(2,31)7-6-11-8-12-9-15(13(17(24)29)10-28(12)27-11)26-18(30)14-4-3-5-16(25-14)20(21,22)23;1-19(2,31)7-6-11-8-12-9-15(13(18(29)30)10-27(12)26-11)25-17(28)14-4-3-5-16(24-14)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H2,24,29)(H,26,30);3-5,8-10,31H,6-7H2,1-2H3,(H,25,28)(H,29,30)
InChIKeyITLMIYRQEKKDOH-UHFFFAOYSA-N
MW871.80 g/mol
LogP6.20
Rot. Bonds12

About 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid

2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 165004566) has the molecular formula C40H39F6N9O7 and a molecular weight of 871.80 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID165004566
Molecular FormulaC40H39F6N9O7
Molecular Weight871.80 g/mol
Exact Mass871.29
IUPAC Name2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cn2n1.CC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(N)=O)cn2n1
InChIInChI=1S/C20H20F3N5O3.C20H19F3N4O4/c1-19(2,31)7-6-11-8-12-9-15(13(17(24)29)10-28(12)27-11)26-18(30)14-4-3-5-16(25-14)20(21,22)23;1-19(2,31)7-6-11-8-12-9-15(13(18(29)30)10-27(12)26-11)25-17(28)14-4-3-5-16(24-14)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H2,24,29)(H,26,30);3-5,8-10,31H,6-7H2,1-2H3,(H,25,28)(H,29,30)
InChIKeyITLMIYRQEKKDOH-UHFFFAOYSA-N
XLogP6.20
TPSA239.43 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500871.80
LogP ≤ 56.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

(R)-methyl 5-((2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-((2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl) pyridin-4-yl)amino) nicotinate
CID 138703508
1-Methyl-5-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carbonyl]pyrazole-3-carboxylic acid
CID 172472330
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
6-(5-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamido)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 89618999
6-[[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 89619001
5-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 89634197
5-[[5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 117772321
5-[5-hydroxy-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5H-pyrrolo[3,4-b]pyridin-2-yl]-N-propylpyridine-3-carboxamide
CID 134423792
amino 4-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]benzoate
CID 135307820

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 165004566) is 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is CC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(=O)O)cn2n1.CC(C)(O)CCc1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(N)=O)cn2n1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is ITLMIYRQEKKDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3.C20H19F3N4O4/c1-19(2,31)7-6-11-8-12-9-15(13(17(24)29)10-28(12)27-11)26-18(30)14-4-3-5-16(25-14)20(21,22)23;1-19(2,31)7-6-11-8-12-9-15(13(18(29)30)10-27(12)26-11)25-17(28)14-4-3-5-16(24-14)20(21,22)23/h3-5,8-10,31H,6-7H2,1-2H3,(H2,24,29)(H,26,30);3-5,8-10,31H,6-7H2,1-2H3,(H,25,28)(H,29,30).
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 871.80 g/mol, XLogP of 6.20, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 165004566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).