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

C129H81ClF10N14O18 — CID 160526589

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

2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile (PubChem CID 160526589) has the molecular formula C129H81ClF10N14O18 and a molecular weight of 2340.58 g/mol. Its IUPAC name is 2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
• PubChem CID: 160526589
• Molecular Formula: C129H81ClF10N14O18
• Molecular Weight: 2340.58 g/mol
• Exact Mass: 2338.54
• IUPAC Name: 2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile
• SMILES: Cc1c(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3cc(CO)ccc43)cc2)ccnc1F.Cc1c(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccc(F)cc43)cc2)ccnc1F.Cc1cc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3cc(CO)ccc43)cc2)cnc1Cl.N#CC1=C(N)Oc2c(c(=O)oc3cc(CO)ccc23)C1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(F)cc23)C1c1ccc(-c2ccc(C(F)(F)F)nc2)cc1
• InChI: InChI=1S/C27H17F3N2O4.C26H18ClN3O4.C26H18FN3O4.C25H13F4N3O3.C25H15F2N3O3/c28-27(29,30)18-8-6-16(7-9-18)15-2-4-17(5-3-15)22-20(12-31)25(32)36-24-19-10-1-14(13-33)11-21(19)35-26(34)23(22)24;1-13-8-17(11-30-24(13)27)15-3-5-16(6-4-15)21-19(10-28)25(29)34-23-18-7-2-14(12-31)9-20(18)33-26(32)22(21)23;1-13-17(8-9-30-24(13)27)15-3-5-16(6-4-15)21-19(11-28)25(29)34-23-18-7-2-14(12-31)10-20(18)33-26(32)22(21)23;26-15-6-7-18-16(9-15)22-21(24(33)34-18)20(17(10-30)23(31)35-22)13-3-1-12(2-4-13)14-5-8-19(32-11-14)25(27,28)29;1-12-16(8-9-30-23(12)27)13-2-4-14(5-3-13)20-18(11-28)24(29)33-22-17-10-15(26)6-7-19(17)32-25(31)21(20)22/h1-11,22,33H,13,32H2;2-9,11,21,31H,12,29H2,1H3;2-10,21,31H,12,29H2,1H3;1-9,11,20H,31H2;2-10,20H,29H2,1H3
• InChIKey: QUZCVWHRBGRAJP-UHFFFAOYSA-N
• XLogP: 23.62
• TPSA: 558.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2340.58
LogP ≤ 5	23.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile?

The IUPAC name of 2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile (CID 160526589) is 2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile.

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

The canonical SMILES for 2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile is Cc1c(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3cc(CO)ccc43)cc2)ccnc1F.Cc1c(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccc(F)cc43)cc2)ccnc1F.Cc1cc(-c2ccc(C3C(C#N)=C(N)Oc4c3c(=O)oc3cc(CO)ccc43)cc2)cnc1Cl.N#CC1=C(N)Oc2c(c(=O)oc3cc(CO)ccc23)C1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.N#CC1=C(N)Oc2c(c(=O)oc3ccc(F)cc23)C1c1ccc(-c2ccc(C(F)(F)F)nc2)cc1.

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

The InChIKey is QUZCVWHRBGRAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N2O4.C26H18ClN3O4.C26H18FN3O4.C25H13F4N3O3.C25H15F2N3O3/c28-27(29,30)18-8-6-16(7-9-18)15-2-4-17(5-3-15)22-20(12-31)25(32)36-24-19-10-1-14(13-33)11-21(19)35-26(34)23(22)24;1-13-8-17(11-30-24(13)27)15-3-5-16(6-4-15)21-19(10-28)25(29)34-23-18-7-2-14(12-31)9-20(18)33-26(32)22(21)23;1-13-17(8-9-30-24(13)27)15-3-5-16(6-4-15)21-19(11-28)25(29)34-23-18-7-2-14(12-31)10-20(18)33-26(32)22(21)23;26-15-6-7-18-16(9-15)22-21(24(33)34-18)20(17(10-30)23(31)35-22)13-3-1-12(2-4-13)14-5-8-19(32-11-14)25(27,28)29;1-12-16(8-9-30-23(12)27)13-2-4-14(5-3-13)20-18(11-28)24(29)33-22-17-10-15(26)6-7-19(17)32-25(31)21(20)22/h1-11,22,33H,13,32H2;2-9,11,21,31H,12,29H2,1H3;2-10,21,31H,12,29H2,1H3;1-9,11,20H,31H2;2-10,20H,29H2,1H3.

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

2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile has a molecular weight of 2340.58 g/mol, XLogP of 23.62, 13 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-4-[4-(2-fluoro-3-methyl-4-pyridinyl)phenyl]-8-(hydroxymethyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-9-fluoro-5-oxo-4-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile;2-amino-8-(hydroxymethyl)-5-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-4H-pyrano[3,2-c]chromene-3-carbonitrile is sourced from PubChem (CID 160526589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).