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

C19H17FN6O — CID 166837500

IUPAC5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3ccc(N4CCCC4)nc3)nc2CN1c1ccncc1F
InChIInChI=1S/C19H17FN6O/c20-15-10-21-6-5-17(15)25-12-16-14(19(25)27)11-26(23-16)13-3-4-18(22-9-13)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8,12H2
InChIKeyIHJOQGCKUCQKMQ-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.56
Rot. Bonds3

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

5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 166837500) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID166837500
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3ccc(N4CCCC4)nc3)nc2CN1c1ccncc1F
InChIInChI=1S/C19H17FN6O/c20-15-10-21-6-5-17(15)25-12-16-14(19(25)27)11-26(23-16)13-3-4-18(22-9-13)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8,12H2
InChIKeyIHJOQGCKUCQKMQ-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one with MolForge

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Related Compounds

5-(3-fluoro-2-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837540
5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837415
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837012
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
CID 166523555
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786987
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-propan-2-ylpyrazol-4-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837094
2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837278
3-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-4-oxo-6H-pyrrolo[3,4-c]pyrazol-5-yl]benzonitrile
CID 168786983
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878897
5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile
CID 166837440
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879017
5-(1-methylpyrazol-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879009

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 166837500) is 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is O=C1c2cn(-c3ccc(N4CCCC4)nc3)nc2CN1c1ccncc1F.
What is the InChIKey of 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is IHJOQGCKUCQKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c20-15-10-21-6-5-17(15)25-12-16-14(19(25)27)11-26(23-16)13-3-4-18(22-9-13)24-7-1-2-8-24/h3-6,9-11H,1-2,7-8,12H2.
What are the key properties of 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 364.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 166837500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).