5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one

C20H19FN6O — CID 166837012

IUPAC5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESNc1ccc(N2Cc3nn(-c4ccc(N5CCCC5)nc4)cc3C2=O)cc1F
InChIInChI=1S/C20H19FN6O/c21-16-9-13(3-5-17(16)22)26-12-18-15(20(26)28)11-27(24-18)14-4-6-19(23-10-14)25-7-1-2-8-25/h3-6,9-11H,1-2,7-8,12,22H2
InChIKeyOUKJHFSBNPDOFH-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.75
Rot. Bonds3

About 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one

5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 166837012) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID166837012
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESNc1ccc(N2Cc3nn(-c4ccc(N5CCCC5)nc4)cc3C2=O)cc1F
InChIInChI=1S/C20H19FN6O/c21-16-9-13(3-5-17(16)22)26-12-18-15(20(26)28)11-27(24-18)14-4-6-19(23-10-14)25-7-1-2-8-25/h3-6,9-11H,1-2,7-8,12,22H2
InChIKeyOUKJHFSBNPDOFH-UHFFFAOYSA-N
XLogP2.75
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837415
5-(3-fluoro-2-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837540
5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837500
3-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-4-oxo-6H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
CID 168786983
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
CID 166523555
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475237
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786987
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878897
5-(1-methylpyrazol-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879009
5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile
CID 166837440
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879029
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-[4-(2-trimethylsilylethoxymethoxy)-2-pyridinyl]-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168787061

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 166837012) is 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is Nc1ccc(N2Cc3nn(-c4ccc(N5CCCC5)nc4)cc3C2=O)cc1F.
What is the InChIKey of 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is OUKJHFSBNPDOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-16-9-13(3-5-17(16)22)26-12-18-15(20(26)28)11-27(24-18)14-4-6-19(23-10-14)25-7-1-2-8-25/h3-6,9-11H,1-2,7-8,12,22H2.
What are the key properties of 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 378.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 166837012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).