2-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-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-phenylphenyl)-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

C132H91ClF3N11O21 — CID 159855394

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-[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-phenylphenyl)-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-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-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-phenylphenyl)-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 (PubChem CID 159855394) has the molecular formula C132H91ClF3N11O21 and a molecular weight of 2259.68 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-[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-phenylphenyl)-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.

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-[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-phenylphenyl)-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
• PubChem CID: 159855394
• Molecular Formula: C132H91ClF3N11O21
• Molecular Weight: 2259.68 g/mol
• Exact Mass: 2257.60
• 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-[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-phenylphenyl)-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
• 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-c1ccccc1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1ccccc1C.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cccnc1.COc1cccc(-c2cc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)ccc2OC)c1
• InChI: InChI=1S/C27H16ClF3N2O4.C27H20N2O5.C27H20N2O4.C26H18N2O4.C25H17N3O4/c1-35-20-9-7-14(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;1-30-20-12-11-16(13-18(20)15-7-3-2-4-8-15)22-19(14-27)25(28)32-24-17-9-5-6-10-21(17)31-26(29)23(22)24;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/h2-11,22H,33H2,1H3;3-13,23H,29H2,1-2H3;3-13,23H,29H2,1-2H3;2-13,22H,28H2,1H3;2-11,13,21H,27H2,1H3
• InChIKey: NQLRYSRDYIOQKL-UHFFFAOYSA-N
• XLogP: 24.82
• TPSA: 514.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2259.68
LogP ≤ 5	24.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'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-[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-phenylphenyl)-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?

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-[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-phenylphenyl)-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 (CID 159855394) 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-[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-phenylphenyl)-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.

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-[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-phenylphenyl)-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?

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-[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-phenylphenyl)-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 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-c1ccccc1.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1ccccc1C.COc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1-c1cccnc1.COc1cccc(-c2cc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)ccc2OC)c1.

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-[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-phenylphenyl)-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?

The InChIKey is NQLRYSRDYIOQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClF3N2O4.C27H20N2O5.C27H20N2O4.C26H18N2O4.C25H17N3O4/c1-35-20-9-7-14(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;1-30-20-12-11-16(13-18(20)15-7-3-2-4-8-15)22-19(14-27)25(28)32-24-17-9-5-6-10-21(17)31-26(29)23(22)24;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/h2-11,22H,33H2,1H3;3-13,23H,29H2,1-2H3;3-13,23H,29H2,1-2H3;2-13,22H,28H2,1H3;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-[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-phenylphenyl)-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-amino-4-[3-[4-chloro-3-(trifluoromethyl)phenyl]-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-phenylphenyl)-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 has a molecular weight of 2259.68 g/mol, XLogP of 24.82, 16 rotatable bonds, 5 hydrogen bond donors, and 32 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-[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-phenylphenyl)-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 is sourced from PubChem (CID 159855394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).