(4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C19H16FN3O2 — CID 135902813

IUPAC(4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@@H](c2ccccc2OCc2cccc(F)c2)c2cn[nH]c2N1
InChIInChI=1S/C19H16FN3O2/c20-13-5-3-4-12(8-13)11-25-17-7-2-1-6-14(17)15-9-18(24)22-19-16(15)10-21-23-19/h1-8,10,15H,9,11H2,(H2,21,22,23,24)/t15-/m0/s1
InChIKeyJBWQEJLFIAHKGA-HNNXBMFYSA-N
MW337.35 g/mol
LogP3.60
Rot. Bonds4

About (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

(4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 135902813) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID135902813
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name(4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@@H](c2ccccc2OCc2cccc(F)c2)c2cn[nH]c2N1
InChIInChI=1S/C19H16FN3O2/c20-13-5-3-4-12(8-13)11-25-17-7-2-1-6-14(17)15-9-18(24)22-19-16(15)10-21-23-19/h1-8,10,15H,9,11H2,(H2,21,22,23,24)/t15-/m0/s1
InChIKeyJBWQEJLFIAHKGA-HNNXBMFYSA-N
XLogP3.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135930793
4-(2-prop-2-enoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637481
4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135634021
(7S)-7-[2-[(3-fluorophenyl)methoxy]phenyl]-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52901833
(4R)-1-(1,3-benzothiazol-2-yl)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136792871
(4S)-4-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902867
(4S)-4-(2-chlorophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902621
4-(2-bromophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637582
(4S)-4-(2-bromophenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135901925
4-[4-[[4-fluoro-2-(trifluoromethyl)phenoxy]methyl]-3-(trifluoromethoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216580
(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42558770
(4R)-4-(3-prop-2-ynoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135950651

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 135902813) is (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is O=C1C[C@@H](c2ccccc2OCc2cccc(F)c2)c2cn[nH]c2N1.
What is the InChIKey of (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is JBWQEJLFIAHKGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-13-5-3-4-12(8-13)11-25-17-7-2-1-6-14(17)15-9-18(24)22-19-16(15)10-21-23-19/h1-8,10,15H,9,11H2,(H2,21,22,23,24)/t15-/m0/s1.
What are the key properties of (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
(4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 337.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-[(3-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135902813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).