2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid

C40H35F6N9O7 — CID 164967846

IUPAC2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESNC(=O)c1cn2nc(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N5O3.C20H17F3N4O4/c21-20(22,23)17-3-1-2-14(25-17)19(30)26-16-9-12-8-15(11-4-6-31-7-5-11)27-28(12)10-13(16)18(24)29;21-20(22,23)17-3-1-2-14(24-17)18(28)25-16-9-12-8-15(11-4-6-31-7-5-11)26-27(12)10-13(16)19(29)30/h1-3,8-11H,4-7H2,(H2,24,29)(H,26,30);1-3,8-11H,4-7H2,(H,25,28)(H,29,30)
InChIKeyCSGAEWVVWNKLEU-UHFFFAOYSA-N
MW867.76 g/mol
LogP6.59
Rot. Bonds8

About 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid

2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 164967846) has the molecular formula C40H35F6N9O7 and a molecular weight of 867.76 g/mol. Its IUPAC name is 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID164967846
Molecular FormulaC40H35F6N9O7
Molecular Weight867.76 g/mol
Exact Mass867.26
IUPAC Name2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESNC(=O)c1cn2nc(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N5O3.C20H17F3N4O4/c21-20(22,23)17-3-1-2-14(25-17)19(30)26-16-9-12-8-15(11-4-6-31-7-5-11)27-28(12)10-13(16)18(24)29;21-20(22,23)17-3-1-2-14(24-17)18(28)25-16-9-12-8-15(11-4-6-31-7-5-11)26-27(12)10-13(16)19(29)30/h1-3,8-11H,4-7H2,(H2,24,29)(H,26,30);1-3,8-11H,4-7H2,(H,25,28)(H,29,30)
InChIKeyCSGAEWVVWNKLEU-UHFFFAOYSA-N
XLogP6.59
TPSA217.43 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.76
LogP ≤ 56.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-[1-(Oxan-2-yl)-4-oxo-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c][1,5]naphthyridin-7-yl]pyridine-2-carboxylic acid
CID 117605411
4-Methyl-3-[1-(oxan-2-yl)-4-oxo-5-(2,2,2-trifluoroethyl)pyrazolo[4,3-c][1,5]naphthyridin-7-yl]pyridine-2-carboxylic acid
CID 117605804
6-Methyl-1-[1-(oxan-4-yl)pyrazol-4-yl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 138733374
Ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166501
5-[[6-(Difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 155166588
Ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166875
Ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166972
2-(3-Hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 155167014
2-(1-Methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 155167045
5-[[6-(Difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 155167196
5-[[6-(Difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxamide
CID 155167237
2-(Oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 155167262

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 164967846) is 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is NC(=O)c1cn2nc(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.O=C(Nc1cc2cc(C3CCOCC3)nn2cc1C(=O)O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is CSGAEWVVWNKLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3.C20H17F3N4O4/c21-20(22,23)17-3-1-2-14(25-17)19(30)26-16-9-12-8-15(11-4-6-31-7-5-11)27-28(12)10-13(16)18(24)29;21-20(22,23)17-3-1-2-14(24-17)18(28)25-16-9-12-8-15(11-4-6-31-7-5-11)26-27(12)10-13(16)19(29)30/h1-3,8-11H,4-7H2,(H2,24,29)(H,26,30);1-3,8-11H,4-7H2,(H,25,28)(H,29,30).
What are the key properties of 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 867.76 g/mol, XLogP of 6.59, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide;2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 164967846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).