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

C19H19N7O2 — CID 168878897

IUPAC5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCOc1cncc(N2Cc3nn(-c4ccc(N5CCCC5)nn4)cc3C2=O)c1
InChIInChI=1S/C19H19N7O2/c1-28-14-8-13(9-20-10-14)25-12-16-15(19(25)27)11-26(23-16)18-5-4-17(21-22-18)24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3
InChIKeyCICDLICSOACQEM-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.83
Rot. Bonds4

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

5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one (PubChem CID 168878897) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
PubChem CID168878897
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one
SMILESCOc1cncc(N2Cc3nn(-c4ccc(N5CCCC5)nn4)cc3C2=O)c1
InChIInChI=1S/C19H19N7O2/c1-28-14-8-13(9-20-10-14)25-12-16-15(19(25)27)11-26(23-16)18-5-4-17(21-22-18)24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3
InChIKeyCICDLICSOACQEM-UHFFFAOYSA-N
XLogP1.83
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one (CID 168878897) is 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is COc1cncc(N2Cc3nn(-c4ccc(N5CCCC5)nn4)cc3C2=O)c1.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
The InChIKey is CICDLICSOACQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-28-14-8-13(9-20-10-14)25-12-16-15(19(25)27)11-26(23-16)18-5-4-17(21-22-18)24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3.
What are the key properties of 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one?
5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one has a molecular weight of 377.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-2-(6-pyrrolidin-1-ylpyridazin-3-yl)-6H-pyrrolo[3,4-c]pyrazol-4-one is sourced from PubChem (CID 168878897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).