8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one

C22H26ClN3O2 — CID 10386244

IUPAC8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCCC(CCC)n1c(=O)c(C)nc2c(-c3ccc(OC)cc3Cl)ccnc21
InChIInChI=1S/C22H26ClN3O2/c1-5-7-15(8-6-2)26-21-20(25-14(3)22(26)27)18(11-12-24-21)17-10-9-16(28-4)13-19(17)23/h9-13,15H,5-8H2,1-4H3
InChIKeyZBWVYMDXFNUADA-UHFFFAOYSA-N
MW399.92 g/mol
LogP5.57
Rot. Bonds7

About 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one

8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 10386244) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID10386244
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCCC(CCC)n1c(=O)c(C)nc2c(-c3ccc(OC)cc3Cl)ccnc21
InChIInChI=1S/C22H26ClN3O2/c1-5-7-15(8-6-2)26-21-20(25-14(3)22(26)27)18(11-12-24-21)17-10-9-16(28-4)13-19(17)23/h9-13,15H,5-8H2,1-4H3
InChIKeyZBWVYMDXFNUADA-UHFFFAOYSA-N
XLogP5.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 22052152
8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 11744040
8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(1R)-1-cyclopropylbutyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10003977
8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(1S)-1-cyclopropylbutyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10343816
4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10001681
8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one
CID 10384880
8-(2-chloro-4-methoxy-5-methylphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10408534
8-(6-methoxy-2-methyl-3-pyridinyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 21035686
5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one
CID 10385822
7-[2-chloro-4-(trifluoromethoxy)phenyl]-3-(1-cyclopropylpropyl)-2-methoxyimidazo[4,5-b]pyridine
CID 10224286
7-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethyl-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 10046247
2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
CID 170925653

Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one (CID 10386244) is 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one is CCCC(CCC)n1c(=O)c(C)nc2c(-c3ccc(OC)cc3Cl)ccnc21.
What is the InChIKey of 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZBWVYMDXFNUADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-5-7-15(8-6-2)26-21-20(25-14(3)22(26)27)18(11-12-24-21)17-10-9-16(28-4)13-19(17)23/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one?
8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 399.92 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10386244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).