2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one

C12H17F3N4O — CID 146085803

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
SMILESCC(C(=O)N1CCCc2[nH]ncc21)N(C)CC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-8(18(2)7-12(13,14)15)11(20)19-5-3-4-9-10(19)6-16-17-9/h6,8H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyVDMFOFRRTHOYBJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.57
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one

2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one (PubChem CID 146085803) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
PubChem CID146085803
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
SMILESCC(C(=O)N1CCCc2[nH]ncc21)N(C)CC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-8(18(2)7-12(13,14)15)11(20)19-5-3-4-9-10(19)6-16-17-9/h6,8H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyVDMFOFRRTHOYBJ-UHFFFAOYSA-N
XLogP1.57
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 71299236
[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 164632703
2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-1-(6,7-dihydro-1H-pyrazolo[4,3-b]pyridin-4(5H)-yl)ethanone
CID 86711671
1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
CID 147392310
2,2,2-trifluoro-N-(5-methyl-1H-pyrazol-4-yl)-N-piperidin-3-ylacetamide;hydrochloride
CID 155225346
Trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
CID 155644253
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104700568
[(3S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 120965655
3,3-Difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
CID 126773974
(2,2-Difluorocyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126790747
(2-Fluoro-1-methylcyclopropyl)-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 126791079
2-[methyl(2,2,2-trifluoroethyl)amino]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 126801126

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one (CID 146085803) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one is CC(C(=O)N1CCCc2[nH]ncc21)N(C)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one?
The InChIKey is VDMFOFRRTHOYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-8(18(2)7-12(13,14)15)11(20)19-5-3-4-9-10(19)6-16-17-9/h6,8H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one?
2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one has a molecular weight of 290.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one is sourced from PubChem (CID 146085803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).