6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C20H16F3N3O — CID 134810210

IUPAC6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cccc(C(F)(F)F)c3)n[nH]c2CN1Cc1ccccc1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)15-8-4-7-14(9-15)19-16-10-18(27)26(12-17(16)24-25-19)11-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,24,25)
InChIKeyVEQVLEPGOAPBMT-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.18
Rot. Bonds3

About 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810210) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810210
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3cccc(C(F)(F)F)c3)n[nH]c2CN1Cc1ccccc1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)15-8-4-7-14(9-15)19-16-10-18(27)26(12-17(16)24-25-19)11-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,24,25)
InChIKeyVEQVLEPGOAPBMT-UHFFFAOYSA-N
XLogP4.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tinlarebant
CID 92044505
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645932
2-Phenyl-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 7694329
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
CID 23645917
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645918
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645925
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645928
(3R)-3-amino-1-{3-cyclopropyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-4-(2,5-difluorophenyl)butan-1-one
CID 23645934
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridin-4-yl]butan-1-one
CID 23645937
[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118483410
3-[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carbonitrile
CID 118483425

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810210) is 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3cccc(C(F)(F)F)c3)n[nH]c2CN1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is VEQVLEPGOAPBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)15-8-4-7-14(9-15)19-16-10-18(27)26(12-17(16)24-25-19)11-13-5-2-1-3-6-13/h1-9H,10-12H2,(H,24,25).
What are the key properties of 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 371.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[3-(trifluoromethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).