4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C17H13F2N3OS — CID 135634260

IUPAC4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(F)cc2F)c2cnn(Cc3cccs3)c2N1
InChIInChI=1S/C17H13F2N3OS/c18-10-3-4-12(15(19)6-10)13-7-16(23)21-17-14(13)8-20-22(17)9-11-2-1-5-24-11/h1-6,8,13H,7,9H2,(H,21,23)
InChIKeyQLVJFMVDUALHGU-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.75
Rot. Bonds3

About 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135634260) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135634260
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC Name4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(F)cc2F)c2cnn(Cc3cccs3)c2N1
InChIInChI=1S/C17H13F2N3OS/c18-10-3-4-12(15(19)6-10)13-7-16(23)21-17-14(13)8-20-22(17)9-11-2-1-5-24-11/h1-6,8,13H,7,9H2,(H,21,23)
InChIKeyQLVJFMVDUALHGU-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(thiophen-2-yl)-4H,5H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135632516
4-(4-fluorophenyl)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135636729
[4-(4-Fluorophenyl)piperazin-1-yl]-[5-methyl-7-(3-methylthiophen-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135844015
5-(4-ethylphenyl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135619972
N-benzyl-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133824
N-benzyl-N-methyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3133831
3-fluoro-N-(1-{1-[(3-methyl-2-thienyl)carbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 42592187
1-cyclopentyl-4-(thiophen-3-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632607
1-tert-butyl-4-(thiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632728
1-isopropyl-4-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632904
1-tert-butyl-4-(thiophen-3-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632979
1-cyclopentyl-4-(4-fluorophenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136005201

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135634260) is 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2ccc(F)cc2F)c2cnn(Cc3cccs3)c2N1.
What is the InChIKey of 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is QLVJFMVDUALHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c18-10-3-4-12(15(19)6-10)13-7-16(23)21-17-14(13)8-20-22(17)9-11-2-1-5-24-11/h1-6,8,13H,7,9H2,(H,21,23).
What are the key properties of 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 345.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135634260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).