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

C17H13F2N3O2 — CID 135634270

IUPAC4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(F)cc2F)c2cnn(Cc3ccco3)c2N1
InChIInChI=1S/C17H13F2N3O2/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)
InChIKeyUTTNEBCTDRYKAZ-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.28
Rot. Bonds3

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

4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135634270) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135634270
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(F)cc2F)c2cnn(Cc3ccco3)c2N1
InChIInChI=1S/C17H13F2N3O2/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)
InChIKeyUTTNEBCTDRYKAZ-UHFFFAOYSA-N
XLogP3.28
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899894
(4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899877
(4S)-4-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899652
4-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634535
4-(2-chloro-6-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634491
(4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899610
(4S)-1-(furan-2-ylmethyl)-4-(2-methylpropyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899708
(4S)-1-(furan-2-ylmethyl)-4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899727
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135894032
(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833444
1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170503423
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dichlorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135932968

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135634270) is 4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2ccc(F)cc2F)c2cnn(Cc3ccco3)c2N1.
What is the InChIKey of 4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UTTNEBCTDRYKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/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-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 329.31 g/mol, XLogP of 3.28, 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-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135634270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).