6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C25H20FN3O2 — CID 134807422

IUPAC6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccc(Oc4ccccc4)cc3)n[nH]c2CN1Cc1ccccc1F
InChIInChI=1S/C25H20FN3O2/c26-22-9-5-4-6-18(22)15-29-16-23-21(14-24(29)30)25(28-27-23)17-10-12-20(13-11-17)31-19-7-2-1-3-8-19/h1-13H,14-16H2,(H,27,28)
InChIKeyALJJRWVSMOEHJV-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.09
Rot. Bonds5

About 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134807422) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134807422
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccc(Oc4ccccc4)cc3)n[nH]c2CN1Cc1ccccc1F
InChIInChI=1S/C25H20FN3O2/c26-22-9-5-4-6-18(22)15-29-16-23-21(14-24(29)30)25(28-27-23)17-10-12-20(13-11-17)31-19-7-2-1-3-8-19/h1-13H,14-16H2,(H,27,28)
InChIKeyALJJRWVSMOEHJV-UHFFFAOYSA-N
XLogP5.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 8031310
1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(4-methoxybenzoyl)piperazine
CID 16191587
(4-fluorophenyl)[3-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 17582182
(2-fluorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910912
[1-(5-methyl-1H-pyrazole-3-carbonyl)-3-piperidyl]-(4-phenoxyphenyl)methanone
CID 24791717
1-[4-(2,5-dimethylphenyl)piperazino]-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-1-one
CID 44143706
3-(3-fluoro-4-methoxyphenyl)-6-(2-phenoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134807169
3-(3-fluoro-4-methoxyphenyl)-6-(2-methoxyethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810171
[3-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl](phenyl)methanone
CID 17582169
[3-(3,4-Difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-ethoxyphenyl)methanone
CID 56746403
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 56750315
2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 71702937

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134807422) is 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3ccc(Oc4ccccc4)cc3)n[nH]c2CN1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is ALJJRWVSMOEHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c26-22-9-5-4-6-18(22)15-29-16-23-21(14-24(29)30)25(28-27-23)17-10-12-20(13-11-17)31-19-7-2-1-3-8-19/h1-13H,14-16H2,(H,27,28).
What are the key properties of 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 413.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-3-(4-phenoxyphenyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134807422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).