4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one

C50H40F3N9O5 — CID 157452235

IUPAC4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-c2nc3cccnc3n(C3CC3)c2=O)cc1.COc1ccccc1-c1nc2cccnc2n(C2CC2)c1=O.O=c1c(-c2cc(F)c(F)cc2F)nc2cccnc2n1C1CC1
InChIInChI=1S/2C17H15N3O2.C16H10F3N3O/c1-22-13-8-4-11(5-9-13)15-17(21)20(12-6-7-12)16-14(19-15)3-2-10-18-16;1-22-14-7-3-2-5-12(14)15-17(21)20(11-8-9-11)16-13(19-15)6-4-10-18-16;17-10-7-12(19)11(18)6-9(10)14-16(23)22(8-3-4-8)15-13(21-14)2-1-5-20-15/h2-5,8-10,12H,6-7H2,1H3;2-7,10-11H,8-9H2,1H3;1-2,5-8H,3-4H2
InChIKeyBSXWQYWSGBHFOQ-UHFFFAOYSA-N
MW903.92 g/mol
LogP8.81
Rot. Bonds8

About 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one

4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 157452235) has the molecular formula C50H40F3N9O5 and a molecular weight of 903.92 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID157452235
Molecular FormulaC50H40F3N9O5
Molecular Weight903.92 g/mol
Exact Mass903.31
IUPAC Name4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc(-c2nc3cccnc3n(C3CC3)c2=O)cc1.COc1ccccc1-c1nc2cccnc2n(C2CC2)c1=O.O=c1c(-c2cc(F)c(F)cc2F)nc2cccnc2n1C1CC1
InChIInChI=1S/2C17H15N3O2.C16H10F3N3O/c1-22-13-8-4-11(5-9-13)15-17(21)20(12-6-7-12)16-14(19-15)3-2-10-18-16;1-22-14-7-3-2-5-12(14)15-17(21)20(11-8-9-11)16-13(19-15)6-4-10-18-16;17-10-7-12(19)11(18)6-9(10)14-16(23)22(8-3-4-8)15-13(21-14)2-1-5-20-15/h2-5,8-10,12H,6-7H2,1H3;2-7,10-11H,8-9H2,1H3;1-2,5-8H,3-4H2
InChIKeyBSXWQYWSGBHFOQ-UHFFFAOYSA-N
XLogP8.81
TPSA161.80 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500903.92
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one (CID 157452235) is 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one is COc1ccc(-c2nc3cccnc3n(C3CC3)c2=O)cc1.COc1ccccc1-c1nc2cccnc2n(C2CC2)c1=O.O=c1c(-c2cc(F)c(F)cc2F)nc2cccnc2n1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is BSXWQYWSGBHFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15N3O2.C16H10F3N3O/c1-22-13-8-4-11(5-9-13)15-17(21)20(12-6-7-12)16-14(19-15)3-2-10-18-16;1-22-14-7-3-2-5-12(14)15-17(21)20(11-8-9-11)16-13(19-15)6-4-10-18-16;17-10-7-12(19)11(18)6-9(10)14-16(23)22(8-3-4-8)15-13(21-14)2-1-5-20-15/h2-5,8-10,12H,6-7H2,1H3;2-7,10-11H,8-9H2,1H3;1-2,5-8H,3-4H2.
What are the key properties of 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one?
4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 903.92 g/mol, XLogP of 8.81, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one;4-cyclopropyl-2-(2,4,5-trifluorophenyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 157452235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).