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

C16H20F3N5O2 — CID 143301883

IUPAC1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one
SMILESN[C@@H](CC(=O)N1C=Cc2c(C(F)(F)F)n[nH]c2C1)CN1CCCCC1=O
InChIInChI=1S/C16H20F3N5O2/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/h4,6,10H,1-3,5,7-9,20H2,(H,21,22)/t10-/m0/s1
InChIKeyQDAYJCWIKKZPGH-JTQLQIEISA-N
MW371.36 g/mol
LogP1.47
Rot. Bonds4

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

1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one (PubChem CID 143301883) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one
PubChem CID143301883
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one
SMILESN[C@@H](CC(=O)N1C=Cc2c(C(F)(F)F)n[nH]c2C1)CN1CCCCC1=O
InChIInChI=1S/C16H20F3N5O2/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/h4,6,10H,1-3,5,7-9,20H2,(H,21,22)/t10-/m0/s1
InChIKeyQDAYJCWIKKZPGH-JTQLQIEISA-N
XLogP1.47
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one?
The IUPAC name of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one (CID 143301883) is 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one is N[C@@H](CC(=O)N1C=Cc2c(C(F)(F)F)n[nH]c2C1)CN1CCCCC1=O.
What is the InChIKey of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one?
The InChIKey is QDAYJCWIKKZPGH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20F3N5O2/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/h4,6,10H,1-3,5,7-9,20H2,(H,21,22)/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one?
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one has a molecular weight of 371.36 g/mol, XLogP of 1.47, 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)-1,7-dihydropyrazolo[3,4-c]pyridin-6-yl]butyl]piperidin-2-one is sourced from PubChem (CID 143301883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).