(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol

C118H122Cl5F3N14O7 — CID 158380708

IUPAC(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol
SMILESCc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2ccc(F)cc2)N2CCOCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCC(F)(F)CC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCCCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C24H24ClF2N3O.C24H24ClFN2O2.C24H26ClN3O.C23H24ClN3O2.C23H24ClN3O/c1-16-12-18(14-19(25)13-16)21-20(5-3-9-29-21)23(31)22(17-4-2-8-28-15-17)30-10-6-24(26,27)7-11-30;1-16-13-18(15-19(25)14-16)22-21(3-2-8-27-22)24(29)23(28-9-11-30-12-10-28)17-4-6-20(26)7-5-17;1-17-13-19(15-20(25)14-17)22-21(8-6-10-27-22)24(29)23(18-7-5-9-26-16-18)28-11-3-2-4-12-28;1-16-12-18(14-19(24)13-16)21-20(5-3-7-26-21)23(28)22(17-4-2-6-25-15-17)27-8-10-29-11-9-27;1-16-12-18(14-19(24)13-16)21-20(7-5-9-26-21)23(28)22(27-10-2-3-11-27)17-6-4-8-25-15-17/h2-5,8-9,12-15,22-23,31H,6-7,10-11H2,1H3;2-8,13-15,23-24,29H,9-12H2,1H3;5-10,13-16,23-24,29H,2-4,11-12H2,1H3;2-7,12-15,22-23,28H,8-11H2,1H3;4-9,12-15,22-23,28H,2-3,10-11H2,1H3/t22-,23+;2*23-,24+;2*22-,23+/m00000/s1
InChIKeyGVTCZMNZLWYQNG-DJVSJVFUSA-N
MW2082.62 g/mol
LogP25.12
Rot. Bonds25

About (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol

(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol (PubChem CID 158380708) has the molecular formula C118H122Cl5F3N14O7 and a molecular weight of 2082.62 g/mol. Its IUPAC name is (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol
PubChem CID158380708
Molecular FormulaC118H122Cl5F3N14O7
Molecular Weight2082.62 g/mol
Exact Mass2078.80
IUPAC Name(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol
SMILESCc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2ccc(F)cc2)N2CCOCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCC(F)(F)CC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCCCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)c1
InChIInChI=1S/C24H24ClF2N3O.C24H24ClFN2O2.C24H26ClN3O.C23H24ClN3O2.C23H24ClN3O/c1-16-12-18(14-19(25)13-16)21-20(5-3-9-29-21)23(31)22(17-4-2-8-28-15-17)30-10-6-24(26,27)7-11-30;1-16-13-18(15-19(25)14-16)22-21(3-2-8-27-22)24(29)23(28-9-11-30-12-10-28)17-4-6-20(26)7-5-17;1-17-13-19(15-20(25)14-17)22-21(8-6-10-27-22)24(29)23(18-7-5-9-26-16-18)28-11-3-2-4-12-28;1-16-12-18(14-19(24)13-16)21-20(5-3-7-26-21)23(28)22(17-4-2-6-25-15-17)27-8-10-29-11-9-27;1-16-12-18(14-19(24)13-16)21-20(7-5-9-26-21)23(28)22(27-10-2-3-11-27)17-6-4-8-25-15-17/h2-5,8-9,12-15,22-23,31H,6-7,10-11H2,1H3;2-8,13-15,23-24,29H,9-12H2,1H3;5-10,13-16,23-24,29H,2-4,11-12H2,1H3;2-7,12-15,22-23,28H,8-11H2,1H3;4-9,12-15,22-23,28H,2-3,10-11H2,1H3/t22-,23+;2*23-,24+;2*22-,23+/m00000/s1
InChIKeyGVTCZMNZLWYQNG-DJVSJVFUSA-N
XLogP25.12
TPSA251.82 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002082.62
LogP ≤ 525.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol?
The IUPAC name of (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol (CID 158380708) is (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol?
The canonical SMILES for (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol is Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2ccc(F)cc2)N2CCOCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCC(F)(F)CC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCCCC2)c1.Cc1cc(Cl)cc(-c2ncccc2[C@@H](O)[C@H](c2cccnc2)N2CCOCC2)c1.
What is the InChIKey of (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol?
The InChIKey is GVTCZMNZLWYQNG-DJVSJVFUSA-N. The full InChI is InChI=1S/C24H24ClF2N3O.C24H24ClFN2O2.C24H26ClN3O.C23H24ClN3O2.C23H24ClN3O/c1-16-12-18(14-19(25)13-16)21-20(5-3-9-29-21)23(31)22(17-4-2-8-28-15-17)30-10-6-24(26,27)7-11-30;1-16-13-18(15-19(25)14-16)22-21(3-2-8-27-22)24(29)23(28-9-11-30-12-10-28)17-4-6-20(26)7-5-17;1-17-13-19(15-20(25)14-17)22-21(8-6-10-27-22)24(29)23(18-7-5-9-26-16-18)28-11-3-2-4-12-28;1-16-12-18(14-19(24)13-16)21-20(5-3-7-26-21)23(28)22(17-4-2-6-25-15-17)27-8-10-29-11-9-27;1-16-12-18(14-19(24)13-16)21-20(7-5-9-26-21)23(28)22(27-10-2-3-11-27)17-6-4-8-25-15-17/h2-5,8-9,12-15,22-23,31H,6-7,10-11H2,1H3;2-8,13-15,23-24,29H,9-12H2,1H3;5-10,13-16,23-24,29H,2-4,11-12H2,1H3;2-7,12-15,22-23,28H,8-11H2,1H3;4-9,12-15,22-23,28H,2-3,10-11H2,1H3/t22-,23+;2*23-,24+;2*22-,23+/m00000/s1.
What are the key properties of (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol?
(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol has a molecular weight of 2082.62 g/mol, XLogP of 25.12, 25 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4,4-difluoropiperidin-1-yl)-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-(4-fluorophenyl)-2-morpholin-4-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-morpholin-4-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-piperidin-1-yl-2-pyridin-3-ylethanol;(1R,2S)-1-[2-(3-chloro-5-methylphenyl)-3-pyridinyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 158380708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).