2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one

C30H24ClFN6O4 — CID 157216707

IUPAC2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cccnc2n1CCO.O=c1c(-c2ccc(F)cc2)nc2cccnc2n1CCO
InChIInChI=1S/C15H12ClN3O2.C15H12FN3O2/c2*16-11-5-3-10(4-6-11)13-15(21)19(8-9-20)14-12(18-13)2-1-7-17-14/h2*1-7,20H,8-9H2
InChIKeyASMSPFUDXCSCKB-UHFFFAOYSA-N
MW587.01 g/mol
LogP3.69
Rot. Bonds6

About 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one

2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 157216707) has the molecular formula C30H24ClFN6O4 and a molecular weight of 587.01 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID157216707
Molecular FormulaC30H24ClFN6O4
Molecular Weight587.01 g/mol
Exact Mass586.15
IUPAC Name2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cccnc2n1CCO.O=c1c(-c2ccc(F)cc2)nc2cccnc2n1CCO
InChIInChI=1S/C15H12ClN3O2.C15H12FN3O2/c2*16-11-5-3-10(4-6-11)13-15(21)19(8-9-20)14-12(18-13)2-1-7-17-14/h2*1-7,20H,8-9H2
InChIKeyASMSPFUDXCSCKB-UHFFFAOYSA-N
XLogP3.69
TPSA136.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.01
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(4-chlorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;4-(2-hydroxyethyl)-2-phenylpyrido[2,3-b]pyrazin-3-one
CID 158140434
2-(4-chlorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;4-(2-hydroxyethyl)-2-phenylpyrido[2,3-b]pyrazin-3-one
CID 157166412
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
CID 134154466
2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 53007688
2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
CID 134146352
N-(2-methoxyethyl)-4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393924
2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane
CID 70357001
3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117165366
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46393908
2,3-bis(4-fluorophenyl)pyrido[2,3-b]pyrazine
CID 23738510
2-(4-fluorocyclohexa-1,5-dien-1-yl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one
CID 129017693
3-[2-(4-chloro-2-ethenylphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]propanal
CID 129017698

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 157216707) is 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one is O=c1c(-c2ccc(Cl)cc2)nc2cccnc2n1CCO.O=c1c(-c2ccc(F)cc2)nc2cccnc2n1CCO.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is ASMSPFUDXCSCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2.C15H12FN3O2/c2*16-11-5-3-10(4-6-11)13-15(21)19(8-9-20)14-12(18-13)2-1-7-17-14/h2*1-7,20H,8-9H2.
What are the key properties of 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one?
2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 587.01 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 157216707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).