[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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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

C172H160Cl7F8N19O10 — CID 160998907

IUPAC[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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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
SMILESCC1(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.C[C@@H]1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5(F)CCC5)c4)c3)c(Cl)c2)C[C@H]1F.Cc1ccc(-c2cncc(-c3ccnc4c3OCC(C)O4)c2)c(Cl)c1
InChIInChI=1S/C27H26ClF2N3O.C26H24ClF2N3O2.C26H24ClF2N3O.C26H25ClFN3O2.C26H25ClFN3O.C21H19ClN2O.C20H17ClN2O2/c1-17-6-10-33(16-24(17)29)26(34)19-3-4-22(23(28)12-19)21-11-20(14-31-15-21)18-5-9-32-25(13-18)27(30)7-2-8-27;1-25(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/h3-5,9,11-15,17,24H,2,6-8,10,16H2,1H3;4-6,8,10-14,16,34H,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/t17-,24-;;;;;;/m1....../s1
InChIKeyTVPJRBJKRBWRJA-QCUBCCGSSA-N
MW3053.45 g/mol
LogP40.69
Rot. Bonds26

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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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 160998907) has the molecular formula C172H160Cl7F8N19O10 and a molecular weight of 3053.45 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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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 CID160998907
Molecular FormulaC172H160Cl7F8N19O10
Molecular Weight3053.45 g/mol
Exact Mass3048.03
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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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
SMILESCC1(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.C[C@@H]1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5(F)CCC5)c4)c3)c(Cl)c2)C[C@H]1F.Cc1ccc(-c2cncc(-c3ccnc4c3OCC(C)O4)c2)c(Cl)c1
InChIInChI=1S/C27H26ClF2N3O.C26H24ClF2N3O2.C26H24ClF2N3O.C26H25ClFN3O2.C26H25ClFN3O.C21H19ClN2O.C20H17ClN2O2/c1-17-6-10-33(16-24(17)29)26(34)19-3-4-22(23(28)12-19)21-11-20(14-31-15-21)18-5-9-32-25(13-18)27(30)7-2-8-27;1-25(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/h3-5,9,11-15,17,24H,2,6-8,10,16H2,1H3;4-6,8,10-14,16,34H,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/t17-,24-;;;;;;/m1....../s1
InChIKeyTVPJRBJKRBWRJA-QCUBCCGSSA-N
XLogP40.69
TPSA350.16 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003053.45
LogP ≤ 540.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze [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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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 with MolForge

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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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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 160998907) 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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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.C[C@@H]1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5(F)CCC5)c4)c3)c(Cl)c2)C[C@H]1F.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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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 TVPJRBJKRBWRJA-QCUBCCGSSA-N. The full InChI is InChI=1S/C27H26ClF2N3O.C26H24ClF2N3O2.C26H24ClF2N3O.C26H25ClFN3O2.C26H25ClFN3O.C21H19ClN2O.C20H17ClN2O2/c1-17-6-10-33(16-24(17)29)26(34)19-3-4-22(23(28)12-19)21-11-20(14-31-15-21)18-5-9-32-25(13-18)27(30)7-2-8-27;1-25(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/h3-5,9,11-15,17,24H,2,6-8,10,16H2,1H3;4-6,8,10-14,16,34H,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/t17-,24-;;;;;;/m1....../s1.
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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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 3053.45 g/mol, XLogP of 40.69, 26 rotatable bonds, 2 hydrogen bond donors, and 24 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;[3-chloro-4-[5-[2-(1-fluorocyclobutyl)-4-pyridinyl]-3-pyridinyl]phenyl]-[(3S,4R)-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 160998907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).