4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile

C130H82ClF3N12O16S — CID 157165872

About 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile

4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 157165872) has the molecular formula C130H82ClF3N12O16S and a molecular weight of 2192.67 g/mol. Its IUPAC name is 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
• PubChem CID: 157165872
• Molecular Formula: C130H82ClF3N12O16S
• Molecular Weight: 2192.67 g/mol
• Exact Mass: 2190.53
• IUPAC Name: 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
• SMILES: CC(=O)c1ccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)s1.Cc1cc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)cnc1Cl.Cc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)cn1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2cccc3ccccc23)cc1
• InChI: InChI=1S/C29H18N2O3.C26H15F3N2O3.C25H16ClN3O3.C25H17N3O3.C25H16N2O4S/c30-16-23-25(26-27(34-28(23)31)22-9-3-4-11-24(22)33-29(26)32)19-14-12-18(13-15-19)21-10-5-7-17-6-1-2-8-20(17)21;27-26(28,29)17-11-9-15(10-12-17)14-5-7-16(8-6-14)21-19(13-30)24(31)34-23-18-3-1-2-4-20(18)33-25(32)22(21)23;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;1-14-6-7-17(13-28-14)15-8-10-16(11-9-15)21-19(12-26)24(27)31-23-18-4-2-3-5-20(18)30-25(29)22(21)23;1-13(28)19-10-11-20(32-19)14-6-8-15(9-7-14)21-17(12-26)24(27)31-23-16-4-2-3-5-18(16)30-25(29)22(21)23/h1-15,25H,31H2;1-12,21H,31H2;2-10,12,20H,28H2,1H3;2-11,13,21H,27H2,1H3;2-11,21H,27H2,1H3
• InChIKey: AMXBZQXFTYGQNB-UHFFFAOYSA-N
• XLogP: 25.89
• TPSA: 489.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.67
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

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 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The IUPAC name of 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 157165872) is 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile.

What is the SMILES notation for 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The canonical SMILES for 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile is CC(=O)c1ccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)s1.Cc1cc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)cnc1Cl.Cc1ccc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2)cn1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(-c2cccc3ccccc23)cc1.

What is the InChIKey of 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The InChIKey is AMXBZQXFTYGQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2O3.C26H15F3N2O3.C25H16ClN3O3.C25H17N3O3.C25H16N2O4S/c30-16-23-25(26-27(34-28(23)31)22-9-3-4-11-24(22)33-29(26)32)19-14-12-18(13-15-19)21-10-5-7-17-6-1-2-8-20(17)21;27-26(28,29)17-11-9-15(10-12-17)14-5-7-16(8-6-14)21-19(13-30)24(31)34-23-18-3-1-2-4-20(18)33-25(32)22(21)23;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;1-14-6-7-17(13-28-14)15-8-10-16(11-9-15)21-19(12-26)24(27)31-23-18-4-2-3-5-20(18)30-25(29)22(21)23;1-13(28)19-10-11-20(32-19)14-6-8-15(9-7-14)21-17(12-26)24(27)31-23-16-4-2-3-5-18(16)30-25(29)22(21)23/h1-15,25H,31H2;1-12,21H,31H2;2-10,12,20H,28H2,1H3;2-11,13,21H,27H2,1H3;2-11,21H,27H2,1H3.

What are the key properties of 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 2192.67 g/mol, XLogP of 25.89, 11 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(5-acetylthiophen-2-yl)phenyl]-2-amino-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(6-methyl-3-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 157165872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).