(4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C17H14FN3O2 — CID 136899894

IUPAC(4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@H](c2cccc(F)c2)c2cnn(Cc3ccco3)c2N1
InChIInChI=1S/C17H14FN3O2/c18-12-4-1-3-11(7-12)14-8-16(22)20-17-15(14)9-19-21(17)10-13-5-2-6-23-13/h1-7,9,14H,8,10H2,(H,20,22)/t14-/m1/s1
InChIKeyIYKZLLLLTWGPIR-CQSZACIVSA-N
MW311.32 g/mol
LogP3.14
Rot. Bonds3

About (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136899894) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136899894
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name(4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@H](c2cccc(F)c2)c2cnn(Cc3ccco3)c2N1
InChIInChI=1S/C17H14FN3O2/c18-12-4-1-3-11(7-12)14-8-16(22)20-17-15(14)9-19-21(17)10-13-5-2-6-23-13/h1-7,9,14H,8,10H2,(H,20,22)/t14-/m1/s1
InChIKeyIYKZLLLLTWGPIR-CQSZACIVSA-N
XLogP3.14
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634270
(4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899610
4-(2-chloro-6-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135634491
(4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899877
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135894032
(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
(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
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
(4S)-4-phenyl-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899685
1-(cyclopropylmethyl)-4-[1-(3-fluorophenyl)pyrazol-4-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 170503423

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136899894) is (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1C[C@H](c2cccc(F)c2)c2cnn(Cc3ccco3)c2N1.
What is the InChIKey of (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is IYKZLLLLTWGPIR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-12-4-1-3-11(7-12)14-8-16(22)20-17-15(14)9-19-21(17)10-13-5-2-6-23-13/h1-7,9,14H,8,10H2,(H,20,22)/t14-/m1/s1.
What are the key properties of (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 311.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136899894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).