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

C17H14FN3O2 — CID 136899836

IUPAC(4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@H](c2ccccc2F)c2cnn(Cc3ccco3)c2N1
InChIInChI=1S/C17H14FN3O2/c18-15-6-2-1-5-12(15)13-8-16(22)20-17-14(13)9-19-21(17)10-11-4-3-7-23-11/h1-7,9,13H,8,10H2,(H,20,22)/t13-/m1/s1
InChIKeyIHWCYJOZZMKHHK-CYBMUJFWSA-N
MW311.32 g/mol
LogP3.14
Rot. Bonds3

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

(4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136899836) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136899836
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name(4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@H](c2ccccc2F)c2cnn(Cc3ccco3)c2N1
InChIInChI=1S/C17H14FN3O2/c18-15-6-2-1-5-12(15)13-8-16(22)20-17-14(13)9-19-21(17)10-11-4-3-7-23-11/h1-7,9,13H,8,10H2,(H,20,22)/t13-/m1/s1
InChIKeyIHWCYJOZZMKHHK-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136899836) is (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1C[C@H](c2ccccc2F)c2cnn(Cc3ccco3)c2N1.
What is the InChIKey of (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is IHWCYJOZZMKHHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-15-6-2-1-5-12(15)13-8-16(22)20-17-14(13)9-19-21(17)10-11-4-3-7-23-11/h1-7,9,13H,8,10H2,(H,20,22)/t13-/m1/s1.
What are the key properties of (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(2-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 (4S)-4-(2-fluorophenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136899836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).