5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one

C15H15N5O3S — CID 140960424

IUPAC5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ccc(CN2Cc3cn(C4=CC(=O)NS4=O)nc3C2)cn1
InChIInChI=1S/C15H15N5O3S/c1-23-14-3-2-10(5-16-14)6-19-7-11-8-20(17-12(11)9-19)15-4-13(21)18-24(15)22/h2-5,8H,6-7,9H2,1H3,(H,18,21)
InChIKeyKRUKLCFZEQULJW-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.39
Rot. Bonds4

About 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one

5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960424) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960424
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1ccc(CN2Cc3cn(C4=CC(=O)NS4=O)nc3C2)cn1
InChIInChI=1S/C15H15N5O3S/c1-23-14-3-2-10(5-16-14)6-19-7-11-8-20(17-12(11)9-19)15-4-13(21)18-24(15)22/h2-5,8H,6-7,9H2,1H3,(H,18,21)
InChIKeyKRUKLCFZEQULJW-UHFFFAOYSA-N
XLogP0.39
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one (CID 140960424) is 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one is COc1ccc(CN2Cc3cn(C4=CC(=O)NS4=O)nc3C2)cn1.
What is the InChIKey of 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is KRUKLCFZEQULJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-23-14-3-2-10(5-16-14)6-19-7-11-8-20(17-12(11)9-19)15-4-13(21)18-24(15)22/h2-5,8H,6-7,9H2,1H3,(H,18,21).
What are the key properties of 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 345.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).