4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one

C17H23F3N4O3 — CID 166620182

IUPAC4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one
SMILESCOC1CCN(C(=O)c2n[nH]c3c2CCN(C(=O)CCC(F)(F)F)C3)CC1
InChIInChI=1S/C17H23F3N4O3/c1-27-11-3-7-23(8-4-11)16(26)15-12-5-9-24(10-13(12)21-22-15)14(25)2-6-17(18,19)20/h11H,2-10H2,1H3,(H,21,22)
InChIKeyGCBBAOZSLCBIDP-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.89
Rot. Bonds4

About 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one

4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one (PubChem CID 166620182) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one
PubChem CID166620182
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC Name4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one
SMILESCOC1CCN(C(=O)c2n[nH]c3c2CCN(C(=O)CCC(F)(F)F)C3)CC1
InChIInChI=1S/C17H23F3N4O3/c1-27-11-3-7-23(8-4-11)16(26)15-12-5-9-24(10-13(12)21-22-15)14(25)2-6-17(18,19)20/h11H,2-10H2,1H3,(H,21,22)
InChIKeyGCBBAOZSLCBIDP-UHFFFAOYSA-N
XLogP1.89
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one with MolForge

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Related Compounds

1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
CID 118483401
tert-butyl 3-(4-acetylpiperazine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84576063
[6-(methoxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 86268953
methyl 6-[4-(trifluoromethyl)benzoyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581682
methyl 3-[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]azepane-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 166919520
1-[3-[4-(2-ethyl-3,4-difluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
CID 170244845
methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate
CID 166618223
1-[3-[4-(3-fluoro-2-methylphenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 123990638
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 71773207
[4-[5,6-difluoro-7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidin-1-yl]-[6-(2,2-dimethylpropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 144954923
(6-methylsulfanyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 171613793
1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 166612764

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one (CID 166620182) is 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one is COC1CCN(C(=O)c2n[nH]c3c2CCN(C(=O)CCC(F)(F)F)C3)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one?
The InChIKey is GCBBAOZSLCBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-27-11-3-7-23(8-4-11)16(26)15-12-5-9-24(10-13(12)21-22-15)14(25)2-6-17(18,19)20/h11H,2-10H2,1H3,(H,21,22).
What are the key properties of 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one?
4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one has a molecular weight of 388.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[3-(4-methoxypiperidine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-1-one is sourced from PubChem (CID 166620182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).