8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one

C20H21ClFN3O3 — CID 10069877

IUPAC8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(COC)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ccnc21
InChIInChI=1S/C20H21ClFN3O3/c1-5-12(10-27-3)25-19-18(24-11(2)20(25)26)13(6-7-23-19)14-8-16(22)17(28-4)9-15(14)21/h6-9,12H,5,10H2,1-4H3
InChIKeyZEDBPLSFZAIKJI-UHFFFAOYSA-N
MW405.86 g/mol
LogP4.17
Rot. Bonds6

About 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one

8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 10069877) has the molecular formula C20H21ClFN3O3 and a molecular weight of 405.86 g/mol. Its IUPAC name is 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID10069877
Molecular FormulaC20H21ClFN3O3
Molecular Weight405.86 g/mol
Exact Mass405.13
IUPAC Name8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(COC)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ccnc21
InChIInChI=1S/C20H21ClFN3O3/c1-5-12(10-27-3)25-19-18(24-11(2)20(25)26)13(6-7-23-19)14-8-16(22)17(28-4)9-15(14)21/h6-9,12H,5,10H2,1-4H3
InChIKeyZEDBPLSFZAIKJI-UHFFFAOYSA-N
XLogP4.17
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 10069877) is 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one is CCC(COC)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3Cl)ccnc21.
What is the InChIKey of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZEDBPLSFZAIKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O3/c1-5-12(10-27-3)25-19-18(24-11(2)20(25)26)13(6-7-23-19)14-8-16(22)17(28-4)9-15(14)21/h6-9,12H,5,10H2,1-4H3.
What are the key properties of 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 405.86 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-5-fluoro-4-methoxyphenyl)-4-(1-methoxybutan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10069877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).