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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Related Compounds

N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 154654174
US11053219, Example 147
CID 159310768
5-methoxy-N-[5-[(E)-3-[5-(2-methylpyrazol-3-yl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-oxoprop-1-enyl]-2-pyridinyl]pyridine-3-carboxamide
CID 90062311
2-{[5-Methoxy-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl]carbonyl}-5-(4,5,6-trimethylpyrimidin-2-yl)octahydropyrrolo[3,4-c]pyrrole
CID 70980988
2-(4,6-Dimethylpyrimidin-2-yl)-5-{[5-methoxy-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl]carbonyl}octahydropyrrolo[3,4-c]pyrrole
CID 70981814
US10150751, Example 41
CID 137554704
US10150751, Example 43
CID 121418740
3-[4-(3,5-Difluorophenyl)piperazin-1-yl]-1-[1-(3-methoxy-2-pyridinyl)-5-methylpyrazol-4-yl]propan-1-one
CID 15896393
N-[6-[4-[2,2-dimethylpropyl(methyl)amino]cyclohexen-1-yl]-5-methoxy-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 89734734
N-[6-[4-[2,2-dimethylpropanoyl(methyl)amino]cyclohexen-1-yl]-5-methoxypyridin-3-yl]-5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 89749367
1-[4-(Aminomethyl)-1-(5-methoxy-3-pyridinyl)piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 123191215
3-(difluoromethyl)-1-(5-methoxypyridin-3-yl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]pyrazole-4-carboxamide
CID 146381303

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).