1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone

C20H23N5O2 — CID 91769357

About 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone

1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone (PubChem CID 91769357) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone
• PubChem CID: 91769357
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone
• SMILES: COc1ccc(-c2nc3c([nH]2)CN(Cc2cc(C(C)=O)cn2C)CC3)cn1
• InChI: InChI=1S/C20H23N5O2/c1-13(26)15-8-16(24(2)10-15)11-25-7-6-17-18(12-25)23-20(22-17)14-4-5-19(27-3)21-9-14/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,22,23)
• InChIKey: BDUSWYXIJQOUPP-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone?

The IUPAC name of 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone (CID 91769357) is 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone.

What is the SMILES notation for 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone?

The canonical SMILES for 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone is COc1ccc(-c2nc3c([nH]2)CN(Cc2cc(C(C)=O)cn2C)CC3)cn1.

What is the InChIKey of 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone?

The InChIKey is BDUSWYXIJQOUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(26)15-8-16(24(2)10-15)11-25-7-6-17-18(12-25)23-20(22-17)14-4-5-19(27-3)21-9-14/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,22,23).

What are the key properties of 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone?

1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone has a molecular weight of 365.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone is sourced from PubChem (CID 91769357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).