2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C19H15F3N4O — CID 118517932

IUPAC2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(-c3cccnc3)nc2CCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-4-1-3-13(9-14)11-25-8-6-17-16(18(25)27)12-26(24-17)15-5-2-7-23-10-15/h1-5,7,9-10,12H,6,8,11H2
InChIKeyYVHCJRDAWHDTRU-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.48
Rot. Bonds3

About 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 118517932) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID118517932
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESO=C1c2cn(-c3cccnc3)nc2CCN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-4-1-3-13(9-14)11-25-8-6-17-16(18(25)27)12-26(24-17)15-5-2-7-23-10-15/h1-5,7,9-10,12H,6,8,11H2
InChIKeyYVHCJRDAWHDTRU-UHFFFAOYSA-N
XLogP3.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118511205
2-pyridin-3-yl-5-(3,3,3-trifluoropropylsulfanylmethyl)-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118517974
5-[(2E)-2-phenylmethoxyimino-2-[4-(trifluoromethyl)phenyl]ethyl]-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118517947
2-pyridin-3-yl-5-[6-(trifluoromethyl)-2-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118511235
2-pyridin-3-yl-5-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118517941
5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
CID 118518801
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64884561
1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 112708064
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731662
1-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-2-one
CID 12678600
2-benzyl-5-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
CID 171354987
6-benzyl-2-[3-(trifluoromethyl)phenyl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 134807681

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 118517932) is 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is O=C1c2cn(-c3cccnc3)nc2CCN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is YVHCJRDAWHDTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)14-4-1-3-13(9-14)11-25-8-6-17-16(18(25)27)12-26(24-17)15-5-2-7-23-10-15/h1-5,7,9-10,12H,6,8,11H2.
What are the key properties of 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 372.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 118517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).