8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one

C19H22N4O3 — CID 21035686

IUPAC8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCOCC(C)n1c(=O)c(C)nc2c(-c3ccc(OC)nc3C)ccnc21
InChIInChI=1S/C19H22N4O3/c1-11(10-25-4)23-18-17(22-13(3)19(23)24)15(8-9-20-18)14-6-7-16(26-5)21-12(14)2/h6-9,11H,10H2,1-5H3
InChIKeySQUBLBCEURZEJR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.69
Rot. Bonds5

About 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one

8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 21035686) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID21035686
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCOCC(C)n1c(=O)c(C)nc2c(-c3ccc(OC)nc3C)ccnc21
InChIInChI=1S/C19H22N4O3/c1-11(10-25-4)23-18-17(22-13(3)19(23)24)15(8-9-20-18)14-6-7-16(26-5)21-12(14)2/h6-9,11H,10H2,1-5H3
InChIKeySQUBLBCEURZEJR-UHFFFAOYSA-N
XLogP2.69
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 21035686) is 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one is COCC(C)n1c(=O)c(C)nc2c(-c3ccc(OC)nc3C)ccnc21.
What is the InChIKey of 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is SQUBLBCEURZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11(10-25-4)23-18-17(22-13(3)19(23)24)15(8-9-20-18)14-6-7-16(26-5)21-12(14)2/h6-9,11H,10H2,1-5H3.
What are the key properties of 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 354.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 21035686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).