2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile

C126H79ClF4N12O16 — CID 158837302

About 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 158837302) has the molecular formula C126H79ClF4N12O16 and a molecular weight of 2128.53 g/mol. Its IUPAC name is 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile
• PubChem CID: 158837302
• Molecular Formula: C126H79ClF4N12O16
• Molecular Weight: 2128.53 g/mol
• Exact Mass: 2126.54
• IUPAC Name: 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile
• SMILES: COc1cccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)c1.Cc1cc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)cnc1F.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2ccccc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2cccnc2)cc1
• InChI: InChI=1S/C26H14ClF3N2O3.C26H18N2O4.C25H16FN3O3.C25H16N2O3.C24H15N3O3/c27-19-10-9-15(11-18(19)26(28,29)30)13-5-7-14(8-6-13)21-17(12-31)24(32)35-23-16-3-1-2-4-20(16)34-25(33)22(21)23;1-30-18-6-4-5-17(13-18)15-9-11-16(12-10-15)22-20(14-27)25(28)32-24-19-7-2-3-8-21(19)31-26(29)23(22)24;1-13-10-16(12-29-23(13)26)14-6-8-15(9-7-14)20-18(11-27)24(28)32-22-17-4-2-3-5-19(17)31-25(30)21(20)22;26-14-19-21(17-12-10-16(11-13-17)15-6-2-1-3-7-15)22-23(30-24(19)27)18-8-4-5-9-20(18)29-25(22)28;25-12-18-20(15-9-7-14(8-10-15)16-4-3-11-27-13-16)21-22(30-23(18)26)17-5-1-2-6-19(17)29-24(21)28/h1-11,21H,32H2;2-13,22H,28H2,1H3;2-10,12,20H,28H2,1H3;1-13,21H,27H2;1-11,13,20H,26H2
• InChIKey: IXUJRBQWHATLCR-UHFFFAOYSA-N
• XLogP: 24.31
• TPSA: 481.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 11
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2128.53
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

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-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The IUPAC name of 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 158837302) is 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile.

What is the SMILES notation for 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The canonical SMILES for 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile is COc1cccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)c1.Cc1cc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)cnc1F.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2ccccc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2cccnc2)cc1.

What is the InChIKey of 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The InChIKey is IXUJRBQWHATLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14ClF3N2O3.C26H18N2O4.C25H16FN3O3.C25H16N2O3.C24H15N3O3/c27-19-10-9-15(11-18(19)26(28,29)30)13-5-7-14(8-6-13)21-17(12-31)24(32)35-23-16-3-1-2-4-20(16)34-25(33)22(21)23;1-30-18-6-4-5-17(13-18)15-9-11-16(12-10-15)22-20(14-27)25(28)32-24-19-7-2-3-8-21(19)31-26(29)23(22)24;1-13-10-16(12-29-23(13)26)14-6-8-15(9-7-14)20-18(11-27)24(28)32-22-17-4-2-3-5-19(17)31-25(30)21(20)22;26-14-19-21(17-12-10-16(11-13-17)15-6-2-1-3-7-15)22-23(30-24(19)27)18-8-4-5-9-20(18)29-25(22)28;25-12-18-20(15-9-7-14(8-10-15)16-4-3-11-27-13-16)21-22(30-23(18)26)17-5-1-2-6-19(17)29-24(21)28/h1-11,21H,32H2;2-13,22H,28H2,1H3;2-10,12,20H,28H2,1H3;1-13,21H,27H2;1-11,13,20H,26H2.

What are the key properties of 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile?

2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 2128.53 g/mol, XLogP of 24.31, 11 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-fluoro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-phenylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-(4-pyridin-3-ylphenyl)-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 158837302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).