1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one

C16H22F3N5O2 — CID 11952684

IUPAC1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one
SMILESN[C@@H](CC(=O)N1CCc2c(C(F)(F)F)n[nH]c2C1)CN1CCCCC1=O
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)15-11-4-6-24(9-12(11)21-22-15)14(26)7-10(20)8-23-5-2-1-3-13(23)25/h10H,1-9,20H2,(H,21,22)/t10-/m0/s1
InChIKeyFQTMUVGBFPUBLI-JTQLQIEISA-N
MW373.38 g/mol
LogP1.04
Rot. Bonds4

About 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one

1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one (PubChem CID 11952684) has the molecular formula C16H22F3N5O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one
PubChem CID11952684
Molecular FormulaC16H22F3N5O2
Molecular Weight373.38 g/mol
Exact Mass373.17
IUPAC Name1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one
SMILESN[C@@H](CC(=O)N1CCc2c(C(F)(F)F)n[nH]c2C1)CN1CCCCC1=O
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)15-11-4-6-24(9-12(11)21-22-15)14(26)7-10(20)8-23-5-2-1-3-13(23)25/h10H,1-9,20H2,(H,21,22)/t10-/m0/s1
InChIKeyFQTMUVGBFPUBLI-JTQLQIEISA-N
XLogP1.04
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one with MolForge

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 53593597
N-cyclohexyl-2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 53599146
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
[6-(Cyclobutylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 97389010
1'-(cyclopropylcarbonyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56875867
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 124293262
[4-Oxo-1-(2-oxopiperidin-1-yl)-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-2-yl]carbamic acid
CID 66969575
1-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583878
tert-butyl N-[4-oxo-1-(2-oxopiperidin-1-yl)-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butan-2-yl]carbamate
CID 91570793
3,3,3-Trifluoro-1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propan-1-one
CID 118491662
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one
CID 143301883
2-Cyclohexyl-1-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 144973715

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one?
The IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one (CID 11952684) is 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one is N[C@@H](CC(=O)N1CCc2c(C(F)(F)F)n[nH]c2C1)CN1CCCCC1=O.
What is the InChIKey of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one?
The InChIKey is FQTMUVGBFPUBLI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22F3N5O2/c17-16(18,19)15-11-4-6-24(9-12(11)21-22-15)14(26)7-10(20)8-23-5-2-1-3-13(23)25/h10H,1-9,20H2,(H,21,22)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one?
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one has a molecular weight of 373.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]butyl]piperidin-2-one is sourced from PubChem (CID 11952684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).