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

C14H15N5O — CID 166523555

IUPAC2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1NCc2nn(-c3ccc(N4CCCC4)nc3)cc21
InChIInChI=1S/C14H15N5O/c20-14-11-9-19(17-12(11)8-16-14)10-3-4-13(15-7-10)18-5-1-2-6-18/h3-4,7,9H,1-2,5-6,8H2,(H,16,20)
InChIKeyWUQZTQBCVXMSRI-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.11
Rot. Bonds2

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

2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one (PubChem CID 166523555) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
PubChem CID166523555
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
SMILESO=C1NCc2nn(-c3ccc(N4CCCC4)nc3)cc21
InChIInChI=1S/C14H15N5O/c20-14-11-9-19(17-12(11)8-16-14)10-3-4-13(15-7-10)18-5-1-2-6-18/h3-4,7,9H,1-2,5-6,8H2,(H,16,20)
InChIKeyWUQZTQBCVXMSRI-UHFFFAOYSA-N
XLogP1.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-(5-bromopyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one
CID 168786975
5-(4-amino-3-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 166837012
2,5-di(piperidin-1-yl)pyridine
CID 56695292
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879017
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
5-(1-methylpyrazol-4-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879009
2-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-3-amine
CID 70983547
4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996415
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 168879029

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one (CID 166523555) is 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one is O=C1NCc2nn(-c3ccc(N4CCCC4)nc3)cc21.
What is the InChIKey of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is WUQZTQBCVXMSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c20-14-11-9-19(17-12(11)8-16-14)10-3-4-13(15-7-10)18-5-1-2-6-18/h3-4,7,9H,1-2,5-6,8H2,(H,16,20).
What are the key properties of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one?
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 269.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5,6-dihydropyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 166523555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).