3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

C137H120F4N30O15 — CID 158603289

About 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea (PubChem CID 158603289) has the molecular formula C137H120F4N30O15 and a molecular weight of 2502.65 g/mol. Its IUPAC name is 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
• PubChem CID: 158603289
• Molecular Formula: C137H120F4N30O15
• Molecular Weight: 2502.65 g/mol
• Exact Mass: 2500.95
• IUPAC Name: 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(-c2ccccc2)n1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Oc3ccnc4[nH]c(=O)cnc34)c2)cc1.Cc1nc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c4ccccc34)ccnc2[nH]c1=O.Cc1nc2c(Oc3cccc(NC(=O)c4cccc(C(C)(C)C)c4)c3)ccnc2[nH]c1=O.O=C(Nc1cccc(Oc2ccnc3[nH]c(=O)cnc23)c1)Nc1cc(C(F)(F)F)ccc1F
• InChI: InChI=1S/C32H29N7O3.C31H27N7O3.C28H27N7O3.C25H24N4O3.C21H13F4N5O3/c1-19-30(40)37-29-28(34-19)25(16-17-33-29)42-24-15-14-23(21-12-8-9-13-22(21)24)35-31(41)36-27-18-26(32(2,3)4)38-39(27)20-10-6-5-7-11-20;1-31(2,3)25-17-26(38(37-25)19-9-5-4-6-10-19)35-30(40)34-22-13-14-23(21-12-8-7-11-20(21)22)41-24-15-16-32-29-28(24)33-18-27(39)36-29;1-17-8-10-19(11-9-17)35-23(15-22(34-35)28(2,3)4)32-27(37)31-18-6-5-7-20(14-18)38-21-12-13-29-26-25(21)30-16-24(36)33-26;1-15-23(30)29-22-21(27-15)20(11-12-26-22)32-19-10-6-9-18(14-19)28-24(31)16-7-5-8-17(13-16)25(2,3)4;22-14-5-4-11(21(23,24)25)8-15(14)29-20(32)28-12-2-1-3-13(9-12)33-16-6-7-26-19-18(16)27-10-17(31)30-19/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41);4-18H,1-3H3,(H,32,36,39)(H2,34,35,40);5-16H,1-4H3,(H,29,33,36)(H2,31,32,37);5-14H,1-4H3,(H,28,31)(H,26,29,30);1-10H,(H,26,30,31)(H2,28,29,32)
• InChIKey: HVXFXSUWACYTAA-UHFFFAOYSA-N
• XLogP: 28.52
• TPSA: 586.43 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2502.65
LogP ≤ 5	28.52
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea?

The IUPAC name of 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea (CID 158603289) is 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea.

What is the SMILES notation for 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea?

The canonical SMILES for 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(-c2ccccc2)n1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Oc3ccnc4[nH]c(=O)cnc34)c2)cc1.Cc1nc2c(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c4ccccc34)ccnc2[nH]c1=O.Cc1nc2c(Oc3cccc(NC(=O)c4cccc(C(C)(C)C)c4)c3)ccnc2[nH]c1=O.O=C(Nc1cccc(Oc2ccnc3[nH]c(=O)cnc23)c1)Nc1cc(C(F)(F)F)ccc1F.

What is the InChIKey of 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea?

The InChIKey is HVXFXSUWACYTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7O3.C31H27N7O3.C28H27N7O3.C25H24N4O3.C21H13F4N5O3/c1-19-30(40)37-29-28(34-19)25(16-17-33-29)42-24-15-14-23(21-12-8-9-13-22(21)24)35-31(41)36-27-18-26(32(2,3)4)38-39(27)20-10-6-5-7-11-20;1-31(2,3)25-17-26(38(37-25)19-9-5-4-6-10-19)35-30(40)34-22-13-14-23(21-12-8-7-11-20(21)22)41-24-15-16-32-29-28(24)33-18-27(39)36-29;1-17-8-10-19(11-9-17)35-23(15-22(34-35)28(2,3)4)32-27(37)31-18-6-5-7-20(14-18)38-21-12-13-29-26-25(21)30-16-24(36)33-26;1-15-23(30)29-22-21(27-15)20(11-12-26-22)32-19-10-6-9-18(14-19)28-24(31)16-7-5-8-17(13-16)25(2,3)4;22-14-5-4-11(21(23,24)25)8-15(14)29-20(32)28-12-2-1-3-13(9-12)33-16-6-7-26-19-18(16)27-10-17(31)30-19/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41);4-18H,1-3H3,(H,32,36,39)(H2,34,35,40);5-16H,1-4H3,(H,29,33,36)(H2,31,32,37);5-14H,1-4H3,(H,28,31)(H,26,29,30);1-10H,(H,26,30,31)(H2,28,29,32).

What are the key properties of 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea?

3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea has a molecular weight of 2502.65 g/mol, XLogP of 28.52, 23 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[3-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]benzamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]urea;1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea is sourced from PubChem (CID 158603289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).