4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one

C86H94ClF11N4O18 — CID 157407697

About 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one

4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one (PubChem CID 157407697) has the molecular formula C86H94ClF11N4O18 and a molecular weight of 1716.14 g/mol. Its IUPAC name is 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one.

Molecular Properties

• Compound Name: 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one
• PubChem CID: 157407697
• Molecular Formula: C86H94ClF11N4O18
• Molecular Weight: 1716.14 g/mol
• Exact Mass: 1714.61
• IUPAC Name: 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one
• SMILES: COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCCC3(C)C)C(F)(F)F)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCCC3(C)N)C(F)(F)F)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(O)(c2cc3c(c(Cl)n2)OCCC3(C)C)C(F)(F)F)ccc1OC[C@@H](C)O
• InChI: InChI=1S/C31H33F4NO6.C30H32F4N2O6.C25H29ClF3NO6/c1-18(37)17-42-24-10-7-20(15-25(24)40-4)23(38)11-12-30(39,31(33,34)35)26-16-22-28(41-14-13-29(22,2)3)27(36-26)19-5-8-21(32)9-6-19;1-17(37)16-42-23-9-6-19(14-24(23)40-3)22(38)10-11-29(39,30(32,33)34)25-15-21-27(41-13-12-28(21,2)35)26(36-25)18-4-7-20(31)8-5-18;1-14(31)13-36-18-6-5-15(11-19(18)34-4)17(32)7-8-24(33,25(27,28)29)20-12-16-21(22(26)30-20)35-10-9-23(16,2)3/h5-10,15-16,18,37,39H,11-14,17H2,1-4H3;4-9,14-15,17,37,39H,10-13,16,35H2,1-3H3;5-6,11-12,14,31,33H,7-10,13H2,1-4H3/t18-,30?;17-,28?,29?;14-,24?/m111/s1
• InChIKey: BNXLXNGEBRAARF-APVSIYJTSA-N
• XLogP: 16.13
• TPSA: 320.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.14
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one?

The IUPAC name of 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one (CID 157407697) is 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one.

What is the SMILES notation for 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one?

The canonical SMILES for 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one is COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCCC3(C)C)C(F)(F)F)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCCC3(C)N)C(F)(F)F)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(O)(c2cc3c(c(Cl)n2)OCCC3(C)C)C(F)(F)F)ccc1OC[C@@H](C)O.

What is the InChIKey of 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one?

The InChIKey is BNXLXNGEBRAARF-APVSIYJTSA-N. The full InChI is InChI=1S/C31H33F4NO6.C30H32F4N2O6.C25H29ClF3NO6/c1-18(37)17-42-24-10-7-20(15-25(24)40-4)23(38)11-12-30(39,31(33,34)35)26-16-22-28(41-14-13-29(22,2)3)27(36-26)19-5-8-21(32)9-6-19;1-17(37)16-42-23-9-6-19(14-24(23)40-3)22(38)10-11-29(39,30(32,33)34)25-15-21-27(41-13-12-28(21,2)35)26(36-25)18-4-7-20(31)8-5-18;1-14(31)13-36-18-6-5-15(11-19(18)34-4)17(32)7-8-24(33,25(27,28)29)20-12-16-21(22(26)30-20)35-10-9-23(16,2)3/h5-10,15-16,18,37,39H,11-14,17H2,1-4H3;4-9,14-15,17,37,39H,10-13,16,35H2,1-3H3;5-6,11-12,14,31,33H,7-10,13H2,1-4H3/t18-,30?;17-,28?,29?;14-,24?/m111/s1.

What are the key properties of 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one?

4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one has a molecular weight of 1716.14 g/mol, XLogP of 16.13, 29 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-8-(4-fluorophenyl)-4-methyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;4-(8-chloro-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl)-5,5,5-trifluoro-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;5,5,5-trifluoro-4-[8-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 157407697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).