[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C145H134Cl6F6N16O9 — CID 160964852

About [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 160964852) has the molecular formula C145H134Cl6F6N16O9 and a molecular weight of 2571.48 g/mol. Its IUPAC name is [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• PubChem CID: 160964852
• Molecular Formula: C145H134Cl6F6N16O9
• Molecular Weight: 2571.48 g/mol
• Exact Mass: 2566.86
• IUPAC Name: [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• SMILES: CC1(O)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1(F)F.CC1(O)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1F.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1(F)F.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1F.COc1c(-c2cncc(-c3ccc(C)cc3Cl)c2)ccnc1C1CC1.Cc1ccc(-c2cncc(-c3ccnc4c3OCC(C)O4)c2)c(Cl)c1
• InChI: InChI=1S/C26H24ClF2N3O2.C26H24ClF2N3O.C26H25ClFN3O2.C26H25ClFN3O.C21H19ClN2O.C20H17ClN2O2/c1-25(34)7-9-32(15-26(25,28)29)24(33)18-4-5-21(22(27)11-18)20-10-19(13-30-14-20)17-6-8-31-23(12-17)16-2-3-16;1-16-7-9-32(15-26(16,28)29)25(33)19-4-5-22(23(27)11-19)21-10-20(13-30-14-21)18-6-8-31-24(12-18)17-2-3-17;1-26(33)7-9-31(15-24(26)28)25(32)18-4-5-21(22(27)11-18)20-10-19(13-29-14-20)17-6-8-30-23(12-17)16-2-3-16;1-16-7-9-31(15-24(16)28)26(32)19-4-5-22(23(27)11-19)21-10-20(13-29-14-21)18-6-8-30-25(12-18)17-2-3-17;1-13-3-6-17(19(22)9-13)15-10-16(12-23-11-15)18-7-8-24-20(14-4-5-14)21(18)25-2;1-12-3-4-16(18(21)7-12)14-8-15(10-22-9-14)17-5-6-23-20-19(17)24-11-13(2)25-20/h4-6,8,10-14,16,34H,2-3,7,9,15H2,1H3;4-6,8,10-14,16-17H,2-3,7,9,15H2,1H3;4-6,8,10-14,16,24,33H,2-3,7,9,15H2,1H3;4-6,8,10-14,16-17,24H,2-3,7,9,15H2,1H3;3,6-12,14H,4-5H2,1-2H3;3-10,13H,11H2,1-2H3
• InChIKey: SXMFNSMAQZFOER-UHFFFAOYSA-N
• XLogP: 34.06
• TPSA: 304.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2571.48
LogP ≤ 5	34.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The IUPAC name of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 160964852) is [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

What is the SMILES notation for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The canonical SMILES for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC1(O)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1(F)F.CC1(O)CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1F.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1(F)F.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CC1F.COc1c(-c2cncc(-c3ccc(C)cc3Cl)c2)ccnc1C1CC1.Cc1ccc(-c2cncc(-c3ccnc4c3OCC(C)O4)c2)c(Cl)c1.

What is the InChIKey of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The InChIKey is SXMFNSMAQZFOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N3O2.C26H24ClF2N3O.C26H25ClFN3O2.C26H25ClFN3O.C21H19ClN2O.C20H17ClN2O2/c1-25(34)7-9-32(15-26(25,28)29)24(33)18-4-5-21(22(27)11-18)20-10-19(13-30-14-20)17-6-8-31-23(12-17)16-2-3-16;1-16-7-9-32(15-26(16,28)29)25(33)19-4-5-22(23(27)11-19)21-10-20(13-30-14-21)18-6-8-31-24(12-18)17-2-3-17;1-26(33)7-9-31(15-24(26)28)25(32)18-4-5-21(22(27)11-18)20-10-19(13-29-14-20)17-6-8-30-23(12-17)16-2-3-16;1-16-7-9-31(15-24(16)28)26(32)19-4-5-22(23(27)11-19)21-10-20(13-29-14-21)18-6-8-30-25(12-18)17-2-3-17;1-13-3-6-17(19(22)9-13)15-10-16(12-23-11-15)18-7-8-24-20(14-4-5-14)21(18)25-2;1-12-3-4-16(18(21)7-12)14-8-15(10-22-9-14)17-5-6-23-20-19(17)24-11-13(2)25-20/h4-6,8,10-14,16,34H,2-3,7,9,15H2,1H3;4-6,8,10-14,16-17H,2-3,7,9,15H2,1H3;4-6,8,10-14,16,24,33H,2-3,7,9,15H2,1H3;4-6,8,10-14,16-17,24H,2-3,7,9,15H2,1H3;3,6-12,14H,4-5H2,1-2H3;3-10,13H,11H2,1-2H3.

What are the key properties of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 2571.48 g/mol, XLogP of 34.06, 22 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3,3-difluoro-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-hydroxy-4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(3-fluoro-4-methylpiperidin-1-yl)methanone;4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-cyclopropyl-3-methoxypyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-3-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 160964852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).