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

C17H16N6OS — CID 168879017

IUPAC2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1c2nn(-c3ccc(N4CCCC4)nc3)cc2CN1c1cncs1
InChIInChI=1S/C17H16N6OS/c24-17-16-12(9-22(17)15-8-18-11-25-15)10-23(20-16)13-3-4-14(19-7-13)21-5-1-2-6-21/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyWSYQCLSBTRRJSC-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.48
Rot. Bonds3

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

2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 168879017) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID168879017
Molecular FormulaC17H16N6OS
Molecular Weight352.42 g/mol
Exact Mass352.11
IUPAC Name2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
SMILESO=C1c2nn(-c3ccc(N4CCCC4)nc3)cc2CN1c1cncs1
InChIInChI=1S/C17H16N6OS/c24-17-16-12(9-22(17)15-8-18-11-25-15)10-23(20-16)13-3-4-14(19-7-13)21-5-1-2-6-21/h3-4,7-8,10-11H,1-2,5-6,9H2
InChIKeyWSYQCLSBTRRJSC-UHFFFAOYSA-N
XLogP2.48
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 168879017) is 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one is O=C1c2nn(-c3ccc(N4CCCC4)nc3)cc2CN1c1cncs1.
What is the InChIKey of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is WSYQCLSBTRRJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c24-17-16-12(9-22(17)15-8-18-11-25-15)10-23(20-16)13-3-4-14(19-7-13)21-5-1-2-6-21/h3-4,7-8,10-11H,1-2,5-6,9H2.
What are the key properties of 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one?
2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 352.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyrrolidin-1-yl-3-pyridinyl)-5-(1,3-thiazol-5-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 168879017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).