2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C16H10F2N4O — CID 126642490

IUPAC2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cccn3)c21
InChIInChI=1S/C16H10F2N4O/c17-9-3-1-4-10(18)14(9)11-7-13(22-6-2-5-20-22)15-12(21-11)8-19-16(15)23/h1-7H,8H2,(H,19,23)
InChIKeyKNOYNYYAKXVFAN-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.46
Rot. Bonds2

About 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 126642490) has the molecular formula C16H10F2N4O and a molecular weight of 312.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID126642490
Molecular FormulaC16H10F2N4O
Molecular Weight312.28 g/mol
Exact Mass312.08
IUPAC Name2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESO=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cccn3)c21
InChIInChI=1S/C16H10F2N4O/c17-9-3-1-4-10(18)14(9)11-7-13(22-6-2-5-20-22)15-12(21-11)8-19-16(15)23/h1-7H,8H2,(H,19,23)
InChIKeyKNOYNYYAKXVFAN-UHFFFAOYSA-N
XLogP2.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-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

Safimaltib
CID 134609793
4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
4-{[(1r,3s)-3-Amino-2,2,3-Trimethylcyclopentyl]amino}-6-Phenylpyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 117769575
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958907
1-(4-benzoylpiperazin-1-yl)-2-[7-(triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958908
1-(4-benzoylpiperazin-1-yl)-2-(7-pyrazol-1-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958910
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-[7-(triazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958913

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 126642490) is 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cccn3)c21.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is KNOYNYYAKXVFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O/c17-9-3-1-4-10(18)14(9)11-7-13(22-6-2-5-20-22)15-12(21-11)8-19-16(15)23/h1-7H,8H2,(H,19,23).
What are the key properties of 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 312.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 126642490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).