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

C18H17N7O — CID 166837415

IUPAC5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3ccc(N4CCCC4)nc3)nc2CN1c1cncnc1
InChIInChI=1S/C18H17N7O/c26-18-15-10-25(13-3-4-17(21-9-13)23-5-1-2-6-23)22-16(15)11-24(18)14-7-19-12-20-8-14/h3-4,7-10,12H,1-2,5-6,11H2
InChIKeyQFKZXABDQFDMMM-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.82
Rot. Bonds3

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

5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 166837415) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID166837415
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1c2cn(-c3ccc(N4CCCC4)nc3)nc2CN1c1cncnc1
InChIInChI=1S/C18H17N7O/c26-18-15-10-25(13-3-4-17(21-9-13)23-5-1-2-6-23)22-16(15)11-24(18)14-7-19-12-20-8-14/h3-4,7-10,12H,1-2,5-6,11H2
InChIKeyQFKZXABDQFDMMM-UHFFFAOYSA-N
XLogP1.82
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837012
5-(3-fluoro-4-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837500
5-(3-fluoro-2-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837540
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
CID 166523555
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168878897
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-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786987
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-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879029
5-(1-methylpyrazol-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879009
2-[6-(dimethylamino)-3-pyridinyl]-5-pyridin-3-yl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837278
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879017

Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 166837415) is 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is O=C1c2cn(-c3ccc(N4CCCC4)nc3)nc2CN1c1cncnc1.
What is the InChIKey of 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is QFKZXABDQFDMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c26-18-15-10-25(13-3-4-17(21-9-13)23-5-1-2-6-23)22-16(15)11-24(18)14-7-19-12-20-8-14/h3-4,7-10,12H,1-2,5-6,11H2.
What are the key properties of 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 347.38 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-5-yl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 166837415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).