4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

C25H30ClN7O3 — CID 143612684

About 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 143612684) has the molecular formula C25H30ClN7O3 and a molecular weight of 512.01 g/mol. Its IUPAC name is 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
• PubChem CID: 143612684
• Molecular Formula: C25H30ClN7O3
• Molecular Weight: 512.01 g/mol
• Exact Mass: 511.21
• IUPAC Name: 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
• SMILES: C=C1COc2cc(Cl)c(CNCC3CCCN(CCn4c(=O)cnc5ccc(OC)nc54)C3)nc2N1
• InChI: InChI=1S/C25H30ClN7O3/c1-16-15-36-21-10-18(26)20(30-24(21)29-16)12-27-11-17-4-3-7-32(14-17)8-9-33-23(34)13-28-19-5-6-22(35-2)31-25(19)33/h5-6,10,13,17,27H,1,3-4,7-9,11-12,14-15H2,2H3,(H,29,30)
• InChIKey: MWSPQCBNPJMMON-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 106.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.01
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?

The IUPAC name of 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 143612684) is 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

What is the SMILES notation for 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?

The canonical SMILES for 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is C=C1COc2cc(Cl)c(CNCC3CCCN(CCn4c(=O)cnc5ccc(OC)nc54)C3)nc2N1.

What is the InChIKey of 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?

The InChIKey is MWSPQCBNPJMMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN7O3/c1-16-15-36-21-10-18(26)20(30-24(21)29-16)12-27-11-17-4-3-7-32(14-17)8-9-33-23(34)13-28-19-5-6-22(35-2)31-25(19)33/h5-6,10,13,17,27H,1,3-4,7-9,11-12,14-15H2,2H3,(H,29,30).

What are the key properties of 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?

4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 512.01 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[[(7-chloro-3-methylidene-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]methyl]piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 143612684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).