6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C13H13N3O — CID 25190881

IUPAC6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC1Cc2[nH]c(-c3ccncc3)cc2C(=O)N1
InChIInChI=1S/C13H13N3O/c1-8-6-12-10(13(17)15-8)7-11(16-12)9-2-4-14-5-3-9/h2-5,7-8,16H,6H2,1H3,(H,15,17)
InChIKeyLGYXUGLGEXIVHX-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.75
Rot. Bonds1

About 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 25190881) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID25190881
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC1Cc2[nH]c(-c3ccncc3)cc2C(=O)N1
InChIInChI=1S/C13H13N3O/c1-8-6-12-10(13(17)15-8)7-11(16-12)9-2-4-14-5-3-9/h2-5,7-8,16H,6H2,1H3,(H,15,17)
InChIKeyLGYXUGLGEXIVHX-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 25190881) is 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC1Cc2[nH]c(-c3ccncc3)cc2C(=O)N1.
What is the InChIKey of 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LGYXUGLGEXIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-8-6-12-10(13(17)15-8)7-11(16-12)9-2-4-14-5-3-9/h2-5,7-8,16H,6H2,1H3,(H,15,17).
What are the key properties of 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 227.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25190881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).