2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide

C114H99F8N25O15 — CID 158952082

IUPAC2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide
SMILESCC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2.CCc1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.CN(c1nc2nc(C(=O)O)c(C(F)(F)F)cc2nc1-c1ccc(F)cc1)C1CCCCC1.COc1cc2nc(-c3ccc(F)cc3)c(N(C)c3cccnc3)nc2nc1C(=O)O.NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2n1
InChIInChI=1S/C22H20F4N4O2.C21H16FN5O3.C19H18N4O4.C18H16FN5O2.C18H17FN4O2.C16H12FN3O2/c1-30(14-5-3-2-4-6-14)20-17(12-7-9-13(23)10-8-12)27-16-11-15(22(24,25)26)18(21(31)32)28-19(16)29-20;1-27(14-4-3-9-23-11-14)20-17(12-5-7-13(22)8-6-12)24-15-10-16(30-2)18(21(28)29)25-19(15)26-20;1-10(2)23(3)18-16(11-4-7-14-15(8-11)27-9-26-14)20-12-5-6-13(19(24)25)21-17(12)22-18;19-12-3-1-11(2-4-12)15-18(24-7-9-26-10-8-24)23-17-14(21-15)6-5-13(22-17)16(20)25;1-10(2)23(3)17-15(11-4-6-12(19)7-5-11)20-13-8-9-14(18(24)25)21-16(13)22-17;1-2-11-14(9-3-5-10(17)6-4-9)18-12-7-8-13(16(21)22)20-15(12)19-11/h7-11,14H,2-6H2,1H3,(H,31,32);3-11H,1-2H3,(H,28,29);4-8,10H,9H2,1-3H3,(H,24,25);1-6H,7-10H2,(H2,20,25);4-10H,1-3H3,(H,24,25);3-8H,2H2,1H3,(H,21,22)
InChIKeyJLOBOXBLKJDZOQ-UHFFFAOYSA-N
MW2211.19 g/mol
LogP20.21
Rot. Bonds23

About 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide

2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide (PubChem CID 158952082) has the molecular formula C114H99F8N25O15 and a molecular weight of 2211.19 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide
PubChem CID158952082
Molecular FormulaC114H99F8N25O15
Molecular Weight2211.19 g/mol
Exact Mass2209.76
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide
SMILESCC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2.CCc1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.CN(c1nc2nc(C(=O)O)c(C(F)(F)F)cc2nc1-c1ccc(F)cc1)C1CCCCC1.COc1cc2nc(-c3ccc(F)cc3)c(N(C)c3cccnc3)nc2nc1C(=O)O.NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2n1
InChIInChI=1S/C22H20F4N4O2.C21H16FN5O3.C19H18N4O4.C18H16FN5O2.C18H17FN4O2.C16H12FN3O2/c1-30(14-5-3-2-4-6-14)20-17(12-7-9-13(23)10-8-12)27-16-11-15(22(24,25)26)18(21(31)32)28-19(16)29-20;1-27(14-4-3-9-23-11-14)20-17(12-5-7-13(22)8-6-12)24-15-10-16(30-2)18(21(28)29)25-19(15)26-20;1-10(2)23(3)18-16(11-4-7-14-15(8-11)27-9-26-14)20-12-5-6-13(19(24)25)21-17(12)22-18;19-12-3-1-11(2-4-12)15-18(24-7-9-26-10-8-24)23-17-14(21-15)6-5-13(22-17)16(20)25;1-10(2)23(3)17-15(11-4-6-12(19)7-5-11)20-13-8-9-14(18(24)25)21-16(13)22-17;1-2-11-14(9-3-5-10(17)6-4-9)18-12-7-8-13(16(21)22)20-15(12)19-11/h7-11,14H,2-6H2,1H3,(H,31,32);3-11H,1-2H3,(H,28,29);4-8,10H,9H2,1-3H3,(H,24,25);1-6H,7-10H2,(H2,20,25);4-10H,1-3H3,(H,24,25);3-8H,2H2,1H3,(H,21,22)
InChIKeyJLOBOXBLKJDZOQ-UHFFFAOYSA-N
XLogP20.21
TPSA527.62 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002211.19
LogP ≤ 520.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide (CID 158952082) is 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide is CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.CC(C)N(C)c1nc2nc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2.CCc1nc2nc(C(=O)O)ccc2nc1-c1ccc(F)cc1.CN(c1nc2nc(C(=O)O)c(C(F)(F)F)cc2nc1-c1ccc(F)cc1)C1CCCCC1.COc1cc2nc(-c3ccc(F)cc3)c(N(C)c3cccnc3)nc2nc1C(=O)O.NC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCOCC3)nc2n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide?
The InChIKey is JLOBOXBLKJDZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O2.C21H16FN5O3.C19H18N4O4.C18H16FN5O2.C18H17FN4O2.C16H12FN3O2/c1-30(14-5-3-2-4-6-14)20-17(12-7-9-13(23)10-8-12)27-16-11-15(22(24,25)26)18(21(31)32)28-19(16)29-20;1-27(14-4-3-9-23-11-14)20-17(12-5-7-13(22)8-6-12)24-15-10-16(30-2)18(21(28)29)25-19(15)26-20;1-10(2)23(3)18-16(11-4-7-14-15(8-11)27-9-26-14)20-12-5-6-13(19(24)25)21-17(12)22-18;19-12-3-1-11(2-4-12)15-18(24-7-9-26-10-8-24)23-17-14(21-15)6-5-13(22-17)16(20)25;1-10(2)23(3)17-15(11-4-6-12(19)7-5-11)20-13-8-9-14(18(24)25)21-16(13)22-17;1-2-11-14(9-3-5-10(17)6-4-9)18-12-7-8-13(16(21)22)20-15(12)19-11/h7-11,14H,2-6H2,1H3,(H,31,32);3-11H,1-2H3,(H,28,29);4-8,10H,9H2,1-3H3,(H,24,25);1-6H,7-10H2,(H2,20,25);4-10H,1-3H3,(H,24,25);3-8H,2H2,1H3,(H,21,22).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide?
2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide has a molecular weight of 2211.19 g/mol, XLogP of 20.21, 23 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;3-[cyclohexyl(methyl)amino]-2-(4-fluorophenyl)-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;3-ethyl-2-(4-fluorophenyl)pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-7-methoxy-3-[methyl(pyridin-3-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-morpholin-4-ylpyrido[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 158952082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).