2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide

C165H112Cl2F5N15O25 — CID 158135926

About 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide

2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide (PubChem CID 158135926) has the molecular formula C165H112Cl2F5N15O25 and a molecular weight of 2870.69 g/mol. Its IUPAC name is 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide
• PubChem CID: 158135926
• Molecular Formula: C165H112Cl2F5N15O25
• Molecular Weight: 2870.69 g/mol
• Exact Mass: 2867.73
• IUPAC Name: 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide
• SMILES: COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1ccc(Cl)c(C(F)(F)F)c1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1ccccc1C.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cccnc1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cnc(F)c(C)c1.COc1cccc(-c2cc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)ccc2OC)c1.Cc1cc(-c2ccc(C3C(C#N)=C(NC(=O)Cc4cccc(Cl)c4)Oc4c3c(=O)oc3ccccc43)cc2)cnc1F
• InChI: InChI=1S/C33H21ClFN3O4.C27H16ClF3N2O4.C27H20N2O5.C27H20N2O4.C26H18FN3O4.C25H17N3O4/c1-18-13-22(17-37-31(18)35)20-9-11-21(12-10-20)28-25(16-36)32(38-27(39)15-19-5-4-6-23(34)14-19)42-30-24-7-2-3-8-26(24)41-33(40)29(28)30;1-35-20-9-7-14(10-16(20)13-6-8-19(28)18(11-13)27(29,30)31)22-17(12-32)25(33)37-24-15-4-2-3-5-21(15)36-26(34)23(22)24;1-31-17-7-5-6-15(12-17)19-13-16(10-11-21(19)32-2)23-20(14-28)26(29)34-25-18-8-3-4-9-22(18)33-27(30)24(23)25;1-15-7-3-4-8-17(15)19-13-16(11-12-21(19)31-2)23-20(14-28)26(29)33-25-18-9-5-6-10-22(18)32-27(30)24(23)25;1-13-9-15(12-30-24(13)27)17-10-14(7-8-19(17)32-2)21-18(11-28)25(29)34-23-16-5-3-4-6-20(16)33-26(31)22(21)23;1-30-19-9-8-14(11-17(19)15-5-4-10-28-13-15)21-18(12-26)24(27)32-23-16-6-2-3-7-20(16)31-25(29)22(21)23/h2-14,17,28H,15H2,1H3,(H,38,39);2-11,22H,33H2,1H3;3-13,23H,29H2,1-2H3;3-13,23H,29H2,1-2H3;3-10,12,21H,29H2,1-2H3;2-11,13,21H,27H2,1H3
• InChIKey: FTIRANHKRNGMMQ-UHFFFAOYSA-N
• XLogP: 31.23
• TPSA: 632.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 21
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2870.69
LogP ≤ 5	31.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide?

The IUPAC name of 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide (CID 158135926) is 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide.

What is the SMILES notation for 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide?

The canonical SMILES for 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide is COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1ccc(Cl)c(C(F)(F)F)c1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1ccccc1C.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cccnc1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cnc(F)c(C)c1.COc1cccc(-c2cc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)ccc2OC)c1.Cc1cc(-c2ccc(C3C(C#N)=C(NC(=O)Cc4cccc(Cl)c4)Oc4c3c(=O)oc3ccccc43)cc2)cnc1F.

What is the InChIKey of 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide?

The InChIKey is FTIRANHKRNGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21ClFN3O4.C27H16ClF3N2O4.C27H20N2O5.C27H20N2O4.C26H18FN3O4.C25H17N3O4/c1-18-13-22(17-37-31(18)35)20-9-11-21(12-10-20)28-25(16-36)32(38-27(39)15-19-5-4-6-23(34)14-19)42-30-24-7-2-3-8-26(24)41-33(40)29(28)30;1-35-20-9-7-14(10-16(20)13-6-8-19(28)18(11-13)27(29,30)31)22-17(12-32)25(33)37-24-15-4-2-3-5-21(15)36-26(34)23(22)24;1-31-17-7-5-6-15(12-17)19-13-16(10-11-21(19)32-2)23-20(14-28)26(29)34-25-18-8-3-4-9-22(18)33-27(30)24(23)25;1-15-7-3-4-8-17(15)19-13-16(11-12-21(19)31-2)23-20(14-28)26(29)33-25-18-9-5-6-10-22(18)32-27(30)24(23)25;1-13-9-15(12-30-24(13)27)17-10-14(7-8-19(17)32-2)21-18(11-28)25(29)34-23-16-5-3-4-6-20(16)33-26(31)22(21)23;1-30-19-9-8-14(11-17(19)15-5-4-10-28-13-15)21-18(12-26)24(27)32-23-16-6-2-3-7-20(16)31-25(29)22(21)23/h2-14,17,28H,15H2,1H3,(H,38,39);2-11,22H,33H2,1H3;3-13,23H,29H2,1-2H3;3-13,23H,29H2,1-2H3;3-10,12,21H,29H2,1-2H3;2-11,13,21H,27H2,1H3.

What are the key properties of 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide?

2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide has a molecular weight of 2870.69 g/mol, XLogP of 31.23, 21 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-(6-fluoro-5-methyl-3-pyridinyl)-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-methoxy-3-(2-methylphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-(3-chlorophenyl)-N-[3-cyano-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromen-2-yl]acetamide is sourced from PubChem (CID 158135926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).