2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

C162H107Cl4F12N15O26 — CID 158996858

About 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 158996858) has the molecular formula C162H107Cl4F12N15O26 and a molecular weight of 3049.50 g/mol. Its IUPAC name is 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
• PubChem CID: 158996858
• Molecular Formula: C162H107Cl4F12N15O26
• Molecular Weight: 3049.50 g/mol
• Exact Mass: 3045.61
• IUPAC Name: 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
• SMILES: CCc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(OC)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(C)cc32)cc1-c1cccnc1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(N)cc32)cc1-c1ccc(Cl)c(C(F)(F)F)c1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(O)cc32)cc1-c1ccc(Cl)c(C(F)(F)F)c1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cccnc1.COc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(OC)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1
• InChI: InChI=1S/C29H20ClF3N2O4.C28H18ClF3N2O5.C27H17ClF3N3O4.C27H16ClF3N2O5.C26H19N3O4.C25H17N3O4/c1-3-14-4-8-23-18(10-14)26-25(28(36)38-23)24(19(13-34)27(35)39-26)16-6-9-22(37-2)17(11-16)15-5-7-21(30)20(12-15)29(31,32)33;1-36-15-5-8-22-17(11-15)25-24(27(35)38-22)23(18(12-33)26(34)39-25)14-4-7-21(37-2)16(9-14)13-3-6-20(29)19(10-13)28(30,31)32;1-36-20-6-3-13(8-15(20)12-2-5-19(28)18(9-12)27(29,30)31)22-17(11-32)25(34)38-24-16-10-14(33)4-7-21(16)37-26(35)23(22)24;1-36-20-6-3-13(8-15(20)12-2-5-19(28)18(9-12)27(29,30)31)22-17(11-32)25(33)38-24-16-10-14(34)4-7-21(16)37-26(35)23(22)24;1-14-5-7-21-18(10-14)24-23(26(30)32-21)22(19(12-27)25(28)33-24)15-6-8-20(31-2)17(11-15)16-4-3-9-29-13-16;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/h4-12,24H,3,35H2,1-2H3;3-11,23H,34H2,1-2H3;2-10,22H,33-34H2,1H3;2-10,22,34H,33H2,1H3;3-11,13,22H,28H2,1-2H3;2-11,13,21H,27H2,1H3
• InChIKey: JQVNUGZJSLMWJE-UHFFFAOYSA-N
• XLogP: 33.77
• TPSA: 672.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 20
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3049.50
LogP ≤ 5	33.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The IUPAC name of 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 158996858) is 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile.

What is the SMILES notation for 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The canonical SMILES for 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile is CCc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(OC)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(C)cc32)cc1-c1cccnc1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(N)cc32)cc1-c1ccc(Cl)c(C(F)(F)F)c1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccc(O)cc32)cc1-c1ccc(Cl)c(C(F)(F)F)c1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cccnc1.COc1ccc2oc(=O)c3c(c2c1)OC(N)=C(C#N)C3c1ccc(OC)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1.

What is the InChIKey of 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The InChIKey is JQVNUGZJSLMWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF3N2O4.C28H18ClF3N2O5.C27H17ClF3N3O4.C27H16ClF3N2O5.C26H19N3O4.C25H17N3O4/c1-3-14-4-8-23-18(10-14)26-25(28(36)38-23)24(19(13-34)27(35)39-26)16-6-9-22(37-2)17(11-16)15-5-7-21(30)20(12-15)29(31,32)33;1-36-15-5-8-22-17(11-15)25-24(27(35)38-22)23(18(12-33)26(34)39-25)14-4-7-21(37-2)16(9-14)13-3-6-20(29)19(10-13)28(30,31)32;1-36-20-6-3-13(8-15(20)12-2-5-19(28)18(9-12)27(29,30)31)22-17(11-32)25(34)38-24-16-10-14(33)4-7-21(16)37-26(35)23(22)24;1-36-20-6-3-13(8-15(20)12-2-5-19(28)18(9-12)27(29,30)31)22-17(11-32)25(33)38-24-16-10-14(34)4-7-21(16)37-26(35)23(22)24;1-14-5-7-21-18(10-14)24-23(26(30)32-21)22(19(12-27)25(28)33-24)15-6-8-20(31-2)17(11-15)16-4-3-9-29-13-16;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/h4-12,24H,3,35H2,1-2H3;3-11,23H,34H2,1-2H3;2-10,22H,33-34H2,1H3;2-10,22,34H,33H2,1H3;3-11,13,22H,28H2,1-2H3;2-11,13,21H,27H2,1H3.

What are the key properties of 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile?

2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 3049.50 g/mol, XLogP of 33.77, 20 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-ethyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-hydroxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-9-methoxy-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-methoxy-3-pyridin-3-ylphenyl)-9-methyl-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;2,9-diamino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxyphenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 158996858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).