1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one

C24H21FN4O — CID 122186070

IUPAC1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one
SMILESO=c1cc(N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)ccn1Cc1ccccc1
InChIInChI=1S/C24H21FN4O/c25-19-8-6-18(7-9-19)24-21-16-28(13-11-22(21)26-27-24)20-10-12-29(23(30)14-20)15-17-4-2-1-3-5-17/h1-10,12,14H,11,13,15-16H2,(H,26,27)
InChIKeyAVLKLAKUQZHOLX-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.99
Rot. Bonds4

About 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one

1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one (PubChem CID 122186070) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one
PubChem CID122186070
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one
SMILESO=c1cc(N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)ccn1Cc1ccccc1
InChIInChI=1S/C24H21FN4O/c25-19-8-6-18(7-9-19)24-21-16-28(13-11-22(21)26-27-24)20-10-12-29(23(30)14-20)15-17-4-2-1-3-5-17/h1-10,12,14H,11,13,15-16H2,(H,26,27)
InChIKeyAVLKLAKUQZHOLX-UHFFFAOYSA-N
XLogP3.99
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-Benzyl-4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819624
1-[(3-Fluorophenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
CID 122186074
1-(3-(4-Fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one
CID 57076369
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
1-[(2-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 129052070
1-[(3-fluorophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one
CID 140931454

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one?
The IUPAC name of 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one (CID 122186070) is 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one?
The canonical SMILES for 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one is O=c1cc(N2CCc3[nH]nc(-c4ccc(F)cc4)c3C2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one?
The InChIKey is AVLKLAKUQZHOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c25-19-8-6-18(7-9-19)24-21-16-28(13-11-22(21)26-27-24)20-10-12-29(23(30)14-20)15-17-4-2-1-3-5-17/h1-10,12,14H,11,13,15-16H2,(H,26,27).
What are the key properties of 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one?
1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one has a molecular weight of 400.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pyridin-2-one is sourced from PubChem (CID 122186070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).