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

C47H41ClFN9O6 — CID 158140434

IUPAC2-(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
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cccnc2n1CCCO.O=c1c(-c2ccc(F)cc2)nc2cccnc2n1CCCO.O=c1c(-c2ccccc2)nc2cccnc2n1CCO
InChIInChI=1S/C16H14ClN3O2.C16H14FN3O2.C15H13N3O2/c2*17-12-6-4-11(5-7-12)14-16(22)20(9-2-10-21)15-13(19-14)3-1-8-18-15;19-10-9-18-14-12(7-4-8-16-14)17-13(15(18)20)11-5-2-1-3-6-11/h2*1,3-8,21H,2,9-10H2;1-8,19H,9-10H2
InChIKeyFTWGBAQGUKRYPV-UHFFFAOYSA-N
MW882.35 g/mol
LogP5.93
Rot. Bonds11

About 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

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 (PubChem CID 158140434) has the molecular formula C47H41ClFN9O6 and a molecular weight of 882.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158140434
Molecular FormulaC47H41ClFN9O6
Molecular Weight882.35 g/mol
Exact Mass881.29
IUPAC Name2-(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
SMILESO=c1c(-c2ccc(Cl)cc2)nc2cccnc2n1CCCO.O=c1c(-c2ccc(F)cc2)nc2cccnc2n1CCCO.O=c1c(-c2ccccc2)nc2cccnc2n1CCO
InChIInChI=1S/C16H14ClN3O2.C16H14FN3O2.C15H13N3O2/c2*17-12-6-4-11(5-7-12)14-16(22)20(9-2-10-21)15-13(19-14)3-1-8-18-15;19-10-9-18-14-12(7-4-8-16-14)17-13(15(18)20)11-5-2-1-3-6-11/h2*1,3-8,21H,2,9-10H2;1-8,19H,9-10H2
InChIKeyFTWGBAQGUKRYPV-UHFFFAOYSA-N
XLogP5.93
TPSA204.03 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.35
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(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
2-(3-oxo-2-phenylpyrido[2,3-b]pyrazin-4-yl)acetic acid
CID 134154466
3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117165366
2-(4-fluorocyclohexa-1,5-dien-1-yl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one
CID 129017693
8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
CID 3233076
2-[2-(3,5-dihydroxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]acetic acid
CID 134146352
2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 53007688
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 92884755
4-(3-oxo-4-propylpyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 46393908
4-benzyl-N-(4-fluorophenyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134796970
2-(4-chlorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53019826

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c(-c2ccc(Cl)cc2)nc2cccnc2n1CCCO.O=c1c(-c2ccc(F)cc2)nc2cccnc2n1CCCO.O=c1c(-c2ccccc2)nc2cccnc2n1CCO.
What is the InChIKey of 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?
The InChIKey is FTWGBAQGUKRYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2.C16H14FN3O2.C15H13N3O2/c2*17-12-6-4-11(5-7-12)14-16(22)20(9-2-10-21)15-13(19-14)3-1-8-18-15;19-10-9-18-14-12(7-4-8-16-14)17-13(15(18)20)11-5-2-1-3-6-11/h2*1,3-8,21H,2,9-10H2;1-8,19H,9-10H2.
What are the key properties of 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?
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 has a molecular weight of 882.35 g/mol, XLogP of 5.93, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158140434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).