8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one

C22H24ClN3O3 — CID 70686396

IUPAC8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC)cc3OC)ccnc21
InChIInChI=1S/C22H24ClN3O3/c1-5-17(13-6-7-13)26-21-20(25-12(2)22(26)27)14(8-9-24-21)15-10-16(23)19(29-4)11-18(15)28-3/h8-11,13,17H,5-7H2,1-4H3
InChIKeyRHURQGMRFGKHMD-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.80
Rot. Bonds6

About 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one

8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 70686396) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID70686396
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC)cc3OC)ccnc21
InChIInChI=1S/C22H24ClN3O3/c1-5-17(13-6-7-13)26-21-20(25-12(2)22(26)27)14(8-9-24-21)15-10-16(23)19(29-4)11-18(15)28-3/h8-11,13,17H,5-7H2,1-4H3
InChIKeyRHURQGMRFGKHMD-UHFFFAOYSA-N
XLogP4.80
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 70686396) is 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one is CCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(Cl)c(OC)cc3OC)ccnc21.
What is the InChIKey of 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is RHURQGMRFGKHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-5-17(13-6-7-13)26-21-20(25-12(2)22(26)27)14(8-9-24-21)15-10-16(23)19(29-4)11-18(15)28-3/h8-11,13,17H,5-7H2,1-4H3.
What are the key properties of 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 413.91 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-2,4-dimethoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70686396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).