1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one

C12H12N4O — CID 172734361

IUPAC1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cnc(-c2cc3cc[nH]c(=O)c3n2C)[nH]1
InChIInChI=1S/C12H12N4O/c1-7-6-14-11(15-7)9-5-8-3-4-13-12(17)10(8)16(9)2/h3-6H,1-2H3,(H,13,17)(H,14,15)
InChIKeyIFMVWQRLLZIPJR-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.57
Rot. Bonds1

About 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one

1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172734361) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID172734361
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cnc(-c2cc3cc[nH]c(=O)c3n2C)[nH]1
InChIInChI=1S/C12H12N4O/c1-7-6-14-11(15-7)9-5-8-3-4-13-12(17)10(8)16(9)2/h3-6H,1-2H3,(H,13,17)(H,14,15)
InChIKeyIFMVWQRLLZIPJR-UHFFFAOYSA-N
XLogP1.57
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one (CID 172734361) is 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one is Cc1cnc(-c2cc3cc[nH]c(=O)c3n2C)[nH]1.
What is the InChIKey of 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is IFMVWQRLLZIPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-7-6-14-11(15-7)9-5-8-3-4-13-12(17)10(8)16(9)2/h3-6H,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one?
1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 228.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methyl-1H-imidazol-2-yl)-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172734361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).