(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone

C16H17F3N4O — CID 138023282

IUPAC(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC1=C(C)CN(C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)CC1
InChIInChI=1S/C16H17F3N4O/c1-9-4-5-23(8-10(9)2)15(24)11-6-12-13(16(17,18)19)21-22(3)14(12)20-7-11/h6-7H,4-5,8H2,1-3H3
InChIKeySVSHFVWSCCJKJN-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.17
Rot. Bonds1

About (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone

(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 138023282) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID138023282
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC1=C(C)CN(C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)CC1
InChIInChI=1S/C16H17F3N4O/c1-9-4-5-23(8-10(9)2)15(24)11-6-12-13(16(17,18)19)21-22(3)14(12)20-7-11/h6-7H,4-5,8H2,1-3H3
InChIKeySVSHFVWSCCJKJN-UHFFFAOYSA-N
XLogP3.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139015193
1-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 138026794
1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117881
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
(2-tert-butyl-1,3-thiazol-5-yl)methyl 1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine-5-carboxylate
CID 166273161
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875033
2-(3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095796
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137578
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 31339064
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone (CID 138023282) is (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone is CC1=C(C)CN(C(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)CC1.
What is the InChIKey of (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is SVSHFVWSCCJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9-4-5-23(8-10(9)2)15(24)11-6-12-13(16(17,18)19)21-22(3)14(12)20-7-11/h6-7H,4-5,8H2,1-3H3.
What are the key properties of (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 338.33 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 138023282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).