7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one

C₂₀H₂₂N₆O₂ — CID 118278509

About 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one

7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 118278509) has the molecular formula C₂₀H₂₂N₆O₂ and a molecular weight of 378.44 g/mol. Its IUPAC name is 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 118278509
• Molecular Formula: C₂₀H₂₂N₆O₂
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.18
• IUPAC Name: 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one
• SMILES: CCN1C(=O)COc2cc(Nc3cc4c(ncn4CC4CC4)c(C)n3)cnc21
• InChI: InChI=1S/C20H22N6O2/c1-3-26-18(27)10-28-16-6-14(8-21-20(16)26)24-17-7-15-19(12(2)23-17)22-11-25(15)9-13-4-5-13/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,23,24)
• InChIKey: ATZYALZITJWSNG-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one (CID 118278509) is 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one is CCN1C(=O)COc2cc(Nc3cc4c(ncn4CC4CC4)c(C)n3)cnc21.

What is the InChIKey of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is ATZYALZITJWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-3-26-18(27)10-28-16-6-14(8-21-20(16)26)24-17-7-15-19(12(2)23-17)22-11-25(15)9-13-4-5-13/h6-8,11,13H,3-5,9-10H2,1-2H3,(H,23,24).

What are the key properties of 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one?

7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 378.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[1-(cyclopropylmethyl)-4-methylimidazo[4,5-c]pyridin-6-yl]amino]-4-ethylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 118278509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118278509 — identifiers, structure, computed properties (public domain)

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