2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C12H10N6O — CID 11185393

IUPAC2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ncnc4nc[nH]c34)cc21
InChIInChI=1S/C12H10N6O/c19-12-6-3-8(18-7(6)1-2-13-12)9-10-11(16-4-14-9)17-5-15-10/h3-5,18H,1-2H2,(H,13,19)(H,14,15,16,17)
InChIKeyUMDODIFHVOJXLT-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.63
Rot. Bonds1

About 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11185393) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11185393
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ncnc4nc[nH]c34)cc21
InChIInChI=1S/C12H10N6O/c19-12-6-3-8(18-7(6)1-2-13-12)9-10-11(16-4-14-9)17-5-15-10/h3-5,18H,1-2H2,(H,13,19)(H,14,15,16,17)
InChIKeyUMDODIFHVOJXLT-UHFFFAOYSA-N
XLogP0.63
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11185393) is 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ncnc4nc[nH]c34)cc21.
What is the InChIKey of 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UMDODIFHVOJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c19-12-6-3-8(18-7(6)1-2-13-12)9-10-11(16-4-14-9)17-5-15-10/h3-5,18H,1-2H2,(H,13,19)(H,14,15,16,17).
What are the key properties of 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 254.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11185393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).