4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C13H12FN3O — CID 135636729

IUPAC4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)CC2c1ccc(F)cc1
InChIInChI=1S/C13H12FN3O/c1-17-13-11(7-15-17)10(6-12(18)16-13)8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H,16,18)
InChIKeyLZRYDSRIXOGDJB-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.03
Rot. Bonds1

About 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135636729) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135636729
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1ncc2c1NC(=O)CC2c1ccc(F)cc1
InChIInChI=1S/C13H12FN3O/c1-17-13-11(7-15-17)10(6-12(18)16-13)8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H,16,18)
InChIKeyLZRYDSRIXOGDJB-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[3-[(4-fluorophenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 68750441
3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]propanamide
CID 68753054
3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
CID 68753268
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24790768
N-(1-{1-[(dimethylamino)sulfonyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24792053
4-phenyl-N-{1-[1-(2-phenylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 24793152
N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24794307
N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819002
3-methyl-1-phenyl-5a,6,7,8,9,9a-hexahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
CID 136169700
N-(1-benzylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 145968953
3-cyclopentyl-N-[3-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
CID 155512041

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135636729) is 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1ncc2c1NC(=O)CC2c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LZRYDSRIXOGDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-17-13-11(7-15-17)10(6-12(18)16-13)8-2-4-9(14)5-3-8/h2-5,7,10H,6H2,1H3,(H,16,18).
What are the key properties of 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 245.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135636729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).