2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile

C136H84Cl2F5N11O18 — CID 159668853

About 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile

2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 159668853) has the molecular formula C136H84Cl2F5N11O18 and a molecular weight of 2326.12 g/mol. Its IUPAC name is 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
• PubChem CID: 159668853
• Molecular Formula: C136H84Cl2F5N11O18
• Molecular Weight: 2326.12 g/mol
• Exact Mass: 2323.53
• IUPAC Name: 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
• SMILES: N#CC1=C(N)Oc2c(c(=O)oc3cc(CO)ccc23)C1c1ccc(-c2ccc(C(F)(F)F)nc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3cc(CO)ccc23)C1c1ccc(-c2ccc(Cl)cc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3cc(CO)ccc23)C1c1ccc(-c2cccc3ccccc23)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(F)cc23)C1c1ccc(-c2ccc(Cl)cc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(F)cc23)C1c1ccc(-c2cccc3ccccc23)cc1
• InChI: InChI=1S/C30H20N2O4.C29H17FN2O3.C26H17ClN2O4.C26H16F3N3O4.C25H14ClFN2O3/c31-15-24-26(20-11-9-19(10-12-20)22-7-3-5-18-4-1-2-6-21(18)22)27-28(36-29(24)32)23-13-8-17(16-33)14-25(23)35-30(27)34;30-19-12-13-24-22(14-19)27-26(29(33)34-24)25(23(15-31)28(32)35-27)18-10-8-17(9-11-18)21-7-3-5-16-4-1-2-6-20(16)21;27-18-8-6-16(7-9-18)15-2-4-17(5-3-15)22-20(12-28)25(29)33-24-19-10-1-14(13-30)11-21(19)32-26(31)23(22)24;27-26(28,29)20-8-6-16(11-32-20)14-2-4-15(5-3-14)21-18(10-30)24(31)36-23-17-7-1-13(12-33)9-19(17)35-25(34)22(21)23;26-16-7-5-14(6-8-16)13-1-3-15(4-2-13)21-19(12-28)24(29)32-23-18-11-17(27)9-10-20(18)31-25(30)22(21)23/h1-14,26,33H,16,32H2;1-14,25H,32H2;1-11,22,30H,13,29H2;1-9,11,21,33H,12,31H2;1-11,21H,29H2
• InChIKey: MTTITSKJFYCMPV-UHFFFAOYSA-N
• XLogP: 26.17
• TPSA: 519.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2326.12
LogP ≤ 5	26.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The IUPAC name of 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 159668853) is 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile.

What is the SMILES notation for 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The canonical SMILES for 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(c(=O)oc3cc(CO)ccc23)C1c1ccc(-c2ccc(C(F)(F)F)nc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3cc(CO)ccc23)C1c1ccc(-c2ccc(Cl)cc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3cc(CO)ccc23)C1c1ccc(-c2cccc3ccccc23)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(F)cc23)C1c1ccc(-c2ccc(Cl)cc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(F)cc23)C1c1ccc(-c2cccc3ccccc23)cc1.

What is the InChIKey of 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The InChIKey is MTTITSKJFYCMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O4.C29H17FN2O3.C26H17ClN2O4.C26H16F3N3O4.C25H14ClFN2O3/c31-15-24-26(20-11-9-19(10-12-20)22-7-3-5-18-4-1-2-6-21(18)22)27-28(36-29(24)32)23-13-8-17(16-33)14-25(23)35-30(27)34;30-19-12-13-24-22(14-19)27-26(29(33)34-24)25(23(15-31)28(32)35-27)18-10-8-17(9-11-18)21-7-3-5-16-4-1-2-6-20(16)21;27-18-8-6-16(7-9-18)15-2-4-17(5-3-15)22-20(12-28)25(29)33-24-19-10-1-14(13-30)11-21(19)32-26(31)23(22)24;27-26(28,29)20-8-6-16(11-32-20)14-2-4-15(5-3-14)21-18(10-30)24(31)36-23-17-7-1-13(12-33)9-19(17)35-25(34)22(21)23;26-16-7-5-14(6-8-16)13-1-3-15(4-2-13)21-19(12-28)24(29)32-23-18-11-17(27)9-10-20(18)31-25(30)22(21)23/h1-14,26,33H,16,32H2;1-14,25H,32H2;1-11,22,30H,13,29H2;1-9,11,21,33H,12,31H2;1-11,21H,29H2.

What are the key properties of 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 2326.12 g/mol, XLogP of 26.17, 13 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[4-(4-chlorophenyl)phenyl]-9-fluoro-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(4-chlorophenyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-4-(4-naphthalen-1-ylphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 159668853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).