4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

C26H33N5O6 — CID 71487417

About 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 71487417) has the molecular formula C26H33N5O6 and a molecular weight of 511.58 g/mol. Its IUPAC name is 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
• PubChem CID: 71487417
• Molecular Formula: C26H33N5O6
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.24
• IUPAC Name: 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
• SMILES: COc1ccc2ncc(=O)n(CC(O)C3(OC)CCC(C)(N(C)c4cc5c(cn4)OCCO5)CC3)c2n1
• InChI: InChI=1S/C26H33N5O6/c1-25(30(2)21-13-18-19(14-28-21)37-12-11-36-18)7-9-26(35-4,10-8-25)20(32)16-31-23(33)15-27-17-5-6-22(34-3)29-24(17)31/h5-6,13-15,20,32H,7-12,16H2,1-4H3
• InChIKey: LYRHCVSASZHJFA-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 121.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?

The IUPAC name of 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 71487417) is 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

What is the SMILES notation for 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?

The canonical SMILES for 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(CC(O)C3(OC)CCC(C)(N(C)c4cc5c(cn4)OCCO5)CC3)c2n1.

What is the InChIKey of 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?

The InChIKey is LYRHCVSASZHJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O6/c1-25(30(2)21-13-18-19(14-28-21)37-12-11-36-18)7-9-26(35-4,10-8-25)20(32)16-31-23(33)15-27-17-5-6-22(34-3)29-24(17)31/h5-6,13-15,20,32H,7-12,16H2,1-4H3.

What are the key properties of 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?

4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 511.58 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 71487417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).