2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide

C21H24F6N6O3 — CID 162563645

IUPAC2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCC(C3NNC4=C3C(O)(C(F)(F)F)CC(=O)N4)CC2)ncc1C(F)(F)F
InChIInChI=1S/C21H24F6N6O3/c1-32(2)18(35)11-7-13(28-9-12(11)20(22,23)24)33-5-3-10(4-6-33)16-15-17(31-30-16)29-14(34)8-19(15,36)21(25,26)27/h7,9-10,16,30-31,36H,3-6,8H2,1-2H3,(H,29,34)
InChIKeyHPJOETTXPOVILW-UHFFFAOYSA-N
MW522.45 g/mol
LogP1.52
Rot. Bonds3

About 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide

2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 162563645) has the molecular formula C21H24F6N6O3 and a molecular weight of 522.45 g/mol. Its IUPAC name is 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID162563645
Molecular FormulaC21H24F6N6O3
Molecular Weight522.45 g/mol
Exact Mass522.18
IUPAC Name2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide
SMILESCN(C)C(=O)c1cc(N2CCC(C3NNC4=C3C(O)(C(F)(F)F)CC(=O)N4)CC2)ncc1C(F)(F)F
InChIInChI=1S/C21H24F6N6O3/c1-32(2)18(35)11-7-13(28-9-12(11)20(22,23)24)33-5-3-10(4-6-33)16-15-17(31-30-16)29-14(34)8-19(15,36)21(25,26)27/h7,9-10,16,30-31,36H,3-6,8H2,1-2H3,(H,29,34)
InChIKeyHPJOETTXPOVILW-UHFFFAOYSA-N
XLogP1.52
TPSA109.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.45
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

2-[4-[(4R,5R)-5-hydroxy-6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 137082683
5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide
CID 118020362
6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 136968666
(4R)-3-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137148060
4-hydroxy-3-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951030
6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 121391254
4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951708
(6S,7S)-6-hydroxy-1-[1-[4-(piperidine-1-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-7-(trifluoromethyl)-3,4,6,7-tetrahydroisoindol-5-one
CID 159345147
2-fluoro-N,N-dimethyl-4-[4-[1-[3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]benzamide
CID 145309808
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045
2-chloro-6-[4-[1-(2,2-difluoro-3-hydroxy-4-methylphosphetane-3-carbonyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 145309790
2-chloro-N,N-dimethyl-6-[4-[1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 129146151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide (CID 162563645) is 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide is CN(C)C(=O)c1cc(N2CCC(C3NNC4=C3C(O)(C(F)(F)F)CC(=O)N4)CC2)ncc1C(F)(F)F.
What is the InChIKey of 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is HPJOETTXPOVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F6N6O3/c1-32(2)18(35)11-7-13(28-9-12(11)20(22,23)24)33-5-3-10(4-6-33)16-15-17(31-30-16)29-14(34)8-19(15,36)21(25,26)27/h7,9-10,16,30-31,36H,3-6,8H2,1-2H3,(H,29,34).
What are the key properties of 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide?
2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 522.45 g/mol, XLogP of 1.52, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-N,N-dimethyl-5-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 162563645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).