3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine

C166H207ClF12N16O13 — CID 160631503

IUPAC3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESC=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4(O)CCC4)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)(C)O)c3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)(F)F)c3Cl)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3F)C2)cc1
InChIInChI=1S/C26H34FN3O2.C25H34N2O3.C24H29ClF2N2O2.C23H27F3N2O2.C23H28F2N2O2.C23H30FN3O.C22H25F3N2O/c1-18(2)15-19(3)20-5-7-21(8-6-20)32-22-10-14-30(16-22)23-9-13-28-25(24(23)27)29-17-26(31)11-4-12-26;1-18(2)14-19(3)20-6-8-22(9-7-20)30-23-11-13-27(16-23)21-10-12-26-24(15-21)29-17-25(4,5)28;1-16(2)13-17(3)18-5-7-19(8-6-18)31-20-10-12-29(14-20)21-9-11-28-23(22(21)25)30-15-24(4,26)27;1-15(2)12-16(3)17-4-6-18(7-5-17)30-19-9-11-28(13-19)20-8-10-27-23(22(20)26)29-14-21(24)25;1-16(2)12-17(3)18-4-6-20(7-5-18)29-21-9-11-27(14-21)19-8-10-26-23(13-19)28-15-22(24)25;1-16(2)14-17(3)18-6-8-19(9-7-18)28-20-11-13-27(15-20)21-10-12-25-23(22(21)24)26(4)5;1-15(2)13-16(3)17-7-9-18(10-8-17)28-19-11-12-27(14-19)21-6-4-5-20(26-21)22(23,24)25/h5-9,13,19,22,31H,1,4,10-12,14-17H2,2-3H3,(H,28,29);6-10,12,15,19,23,28H,1,11,13-14,16-17H2,2-5H3;5-9,11,17,20H,1,10,12-15H2,2-4H3;4-8,10,16,19,21H,1,9,11-14H2,2-3H3;4-8,10,13,17,21-22H,1,9,11-12,14-15H2,2-3H3;6-10,12,17,20H,1,11,13-15H2,2-5H3;4-10,16,19H,1,11-14H2,2-3H3/t19-,22-;19-,23-;17-,20-;16-,19-;17-,21-;17-,20-;16-,19-/m1111111/s1
InChIKeyRHZCUTFMPZGXDI-DRYHQLFVSA-N
MW2898.01 g/mol
LogP38.62
Rot. Bonds58

About 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine

3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine (PubChem CID 160631503) has the molecular formula C166H207ClF12N16O13 and a molecular weight of 2898.01 g/mol. Its IUPAC name is 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
PubChem CID160631503
Molecular FormulaC166H207ClF12N16O13
Molecular Weight2898.01 g/mol
Exact Mass2895.55
IUPAC Name3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESC=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4(O)CCC4)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)(C)O)c3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)(F)F)c3Cl)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3F)C2)cc1
InChIInChI=1S/C26H34FN3O2.C25H34N2O3.C24H29ClF2N2O2.C23H27F3N2O2.C23H28F2N2O2.C23H30FN3O.C22H25F3N2O/c1-18(2)15-19(3)20-5-7-21(8-6-20)32-22-10-14-30(16-22)23-9-13-28-25(24(23)27)29-17-26(31)11-4-12-26;1-18(2)14-19(3)20-6-8-22(9-7-20)30-23-11-13-27(16-23)21-10-12-26-24(15-21)29-17-25(4,5)28;1-16(2)13-17(3)18-5-7-19(8-6-18)31-20-10-12-29(14-20)21-9-11-28-23(22(21)25)30-15-24(4,26)27;1-15(2)12-16(3)17-4-6-18(7-5-17)30-19-9-11-28(13-19)20-8-10-27-23(22(20)26)29-14-21(24)25;1-16(2)12-17(3)18-4-6-20(7-5-18)29-21-9-11-27(14-21)19-8-10-26-23(13-19)28-15-22(24)25;1-16(2)14-17(3)18-6-8-19(9-7-18)28-20-11-13-27(15-20)21-10-12-25-23(22(21)24)26(4)5;1-15(2)13-16(3)17-7-9-18(10-8-17)28-19-11-12-27(14-19)21-6-4-5-20(26-21)22(23,24)25/h5-9,13,19,22,31H,1,4,10-12,14-17H2,2-3H3,(H,28,29);6-10,12,15,19,23,28H,1,11,13-14,16-17H2,2-5H3;5-9,11,17,20H,1,10,12-15H2,2-4H3;4-8,10,16,19,21H,1,9,11-14H2,2-3H3;4-8,10,13,17,21-22H,1,9,11-12,14-15H2,2-3H3;6-10,12,17,20H,1,11,13-15H2,2-5H3;4-10,16,19H,1,11-14H2,2-3H3/t19-,22-;19-,23-;17-,20-;16-,19-;17-,21-;17-,20-;16-,19-/m1111111/s1
InChIKeyRHZCUTFMPZGXDI-DRYHQLFVSA-N
XLogP38.62
TPSA270.17 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds58
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002898.01
LogP ≤ 538.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine (CID 160631503) is 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine is C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4(O)CCC4)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)(C)O)c3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(C)(F)F)c3Cl)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3F)C2)cc1.
What is the InChIKey of 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is RHZCUTFMPZGXDI-DRYHQLFVSA-N. The full InChI is InChI=1S/C26H34FN3O2.C25H34N2O3.C24H29ClF2N2O2.C23H27F3N2O2.C23H28F2N2O2.C23H30FN3O.C22H25F3N2O/c1-18(2)15-19(3)20-5-7-21(8-6-20)32-22-10-14-30(16-22)23-9-13-28-25(24(23)27)29-17-26(31)11-4-12-26;1-18(2)14-19(3)20-6-8-22(9-7-20)30-23-11-13-27(16-23)21-10-12-26-24(15-21)29-17-25(4,5)28;1-16(2)13-17(3)18-5-7-19(8-6-18)31-20-10-12-29(14-20)21-9-11-28-23(22(21)25)30-15-24(4,26)27;1-15(2)12-16(3)17-4-6-18(7-5-17)30-19-9-11-28(13-19)20-8-10-27-23(22(20)26)29-14-21(24)25;1-16(2)12-17(3)18-4-6-20(7-5-18)29-21-9-11-27(14-21)19-8-10-26-23(13-19)28-15-22(24)25;1-16(2)14-17(3)18-6-8-19(9-7-18)28-20-11-13-27(15-20)21-10-12-25-23(22(21)24)26(4)5;1-15(2)13-16(3)17-7-9-18(10-8-17)28-19-11-12-27(14-19)21-6-4-5-20(26-21)22(23,24)25/h5-9,13,19,22,31H,1,4,10-12,14-17H2,2-3H3,(H,28,29);6-10,12,15,19,23,28H,1,11,13-14,16-17H2,2-5H3;5-9,11,17,20H,1,10,12-15H2,2-4H3;4-8,10,16,19,21H,1,9,11-14H2,2-3H3;4-8,10,13,17,21-22H,1,9,11-12,14-15H2,2-3H3;6-10,12,17,20H,1,11,13-15H2,2-5H3;4-10,16,19H,1,11-14H2,2-3H3/t19-,22-;19-,23-;17-,20-;16-,19-;17-,21-;17-,20-;16-,19-/m1111111/s1.
What are the key properties of 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 2898.01 g/mol, XLogP of 38.62, 58 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,2-difluoropropoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;2-(2,2-difluoroethoxy)-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;3-fluoro-N,N-dimethyl-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;1-[[[3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]amino]methyl]cyclobutan-1-ol;2-methyl-1-[[4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-2-pyridinyl]oxy]propan-2-ol;2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 160631503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).