2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide

C175H178F11N25O22 — CID 158281403

IUPAC2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(C)COC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(C)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)cnc3C)cnc2OCCO)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cnc2OCCO)COC1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cccc(C2(C)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cccc(C2(C)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cccc(C2COC2)c1
InChIInChI=1S/C27H29N5O3.C26H27F2N3O5.C26H29FN4O5.C25H26FN3O2.C24H23F3N4O3.C24H23F2N3O2.C23H21F2N3O2/c1-6-35-25-22(27(5)15-34-16-27)9-19(12-31-25)21-11-20(13-30-17(21)2)32-24(33)18-7-8-29-23(10-18)26(3,4)14-28;1-16-4-5-19(31-23(33)17-6-7-29-22(11-17)25(2,27)28)12-20(16)18-10-21(26(34-3)14-35-15-26)24(30-13-18)36-9-8-32;1-16-20(18-9-21(26(34-4)14-35-15-26)24(30-12-18)36-8-7-32)11-19(13-29-16)31-23(33)17-5-6-28-22(10-17)25(2,3)27;1-16-21(17-6-5-7-19(10-17)25(4)14-31-15-25)12-20(13-28-16)29-23(30)18-8-9-27-22(11-18)24(2,3)26;1-4-34-22-19(23(3)12-33-13-23)7-16(10-30-22)18-9-17(11-29-14(18)2)31-21(32)15-5-6-28-20(8-15)24(25,26)27;1-15-20(16-5-4-6-18(9-16)23(2)13-31-14-23)11-19(12-28-15)29-22(30)17-7-8-27-21(10-17)24(3,25)26;1-14-20(16-5-3-4-15(8-16)18-12-30-13-18)10-19(11-27-14)28-22(29)17-6-7-26-21(9-17)23(2,24)25/h7-13H,6,15-16H2,1-5H3,(H,32,33);4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,31,33);5-6,9-13,32H,7-8,14-15H2,1-4H3,(H,31,33);5-13H,14-15H2,1-4H3,(H,29,30);5-11H,4,12-13H2,1-3H3,(H,31,32);4-12H,13-14H2,1-3H3,(H,29,30);3-11,18H,12-13H2,1-2H3,(H,28,29)
InChIKeyGKGHPUQYQIMBDV-UHFFFAOYSA-N
MW3192.48 g/mol
LogP32.23
Rot. Bonds46

About 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 158281403) has the molecular formula C175H178F11N25O22 and a molecular weight of 3192.48 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide
PubChem CID158281403
Molecular FormulaC175H178F11N25O22
Molecular Weight3192.48 g/mol
Exact Mass3190.34
IUPAC Name2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(C)COC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(C)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)cnc3C)cnc2OCCO)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cnc2OCCO)COC1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cccc(C2(C)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cccc(C2(C)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cccc(C2COC2)c1
InChIInChI=1S/C27H29N5O3.C26H27F2N3O5.C26H29FN4O5.C25H26FN3O2.C24H23F3N4O3.C24H23F2N3O2.C23H21F2N3O2/c1-6-35-25-22(27(5)15-34-16-27)9-19(12-31-25)21-11-20(13-30-17(21)2)32-24(33)18-7-8-29-23(10-18)26(3,4)14-28;1-16-4-5-19(31-23(33)17-6-7-29-22(11-17)25(2,27)28)12-20(16)18-10-21(26(34-3)14-35-15-26)24(30-13-18)36-9-8-32;1-16-20(18-9-21(26(34-4)14-35-15-26)24(30-12-18)36-8-7-32)11-19(13-29-16)31-23(33)17-5-6-28-22(10-17)25(2,3)27;1-16-21(17-6-5-7-19(10-17)25(4)14-31-15-25)12-20(13-28-16)29-23(30)18-8-9-27-22(11-18)24(2,3)26;1-4-34-22-19(23(3)12-33-13-23)7-16(10-30-22)18-9-17(11-29-14(18)2)31-21(32)15-5-6-28-20(8-15)24(25,26)27;1-15-20(16-5-4-6-18(9-16)23(2)13-31-14-23)11-19(12-28-15)29-22(30)17-7-8-27-21(10-17)24(3,25)26;1-14-20(16-5-3-4-15(8-16)18-12-30-13-18)10-19(11-27-14)28-22(29)17-6-7-26-21(9-17)23(2,24)25/h7-13H,6,15-16H2,1-5H3,(H,32,33);4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,31,33);5-6,9-13,32H,7-8,14-15H2,1-4H3,(H,31,33);5-13H,14-15H2,1-4H3,(H,29,30);5-11H,4,12-13H2,1-3H3,(H,31,32);4-12H,13-14H2,1-3H3,(H,29,30);3-11,18H,12-13H2,1-2H3,(H,28,29)
InChIKeyGKGHPUQYQIMBDV-UHFFFAOYSA-N
XLogP32.23
TPSA607.07 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds46
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003192.48
LogP ≤ 532.23
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide (CID 158281403) is 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide is CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(C)COC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(C)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)cnc3C)cnc2OCCO)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cnc2OCCO)COC1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cccc(C2(C)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cccc(C2(C)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cccc(C2COC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is GKGHPUQYQIMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C26H27F2N3O5.C26H29FN4O5.C25H26FN3O2.C24H23F3N4O3.C24H23F2N3O2.C23H21F2N3O2/c1-6-35-25-22(27(5)15-34-16-27)9-19(12-31-25)21-11-20(13-30-17(21)2)32-24(33)18-7-8-29-23(10-18)26(3,4)14-28;1-16-4-5-19(31-23(33)17-6-7-29-22(11-17)25(2,27)28)12-20(16)18-10-21(26(34-3)14-35-15-26)24(30-13-18)36-9-8-32;1-16-20(18-9-21(26(34-4)14-35-15-26)24(30-12-18)36-8-7-32)11-19(13-29-16)31-23(33)17-5-6-28-22(10-17)25(2,3)27;1-16-21(17-6-5-7-19(10-17)25(4)14-31-15-25)12-20(13-28-16)29-23(30)18-8-9-27-22(11-18)24(2,3)26;1-4-34-22-19(23(3)12-33-13-23)7-16(10-30-22)18-9-17(11-29-14(18)2)31-21(32)15-5-6-28-20(8-15)24(25,26)27;1-15-20(16-5-4-6-18(9-16)23(2)13-31-14-23)11-19(12-28-15)29-22(30)17-7-8-27-21(10-17)24(3,25)26;1-14-20(16-5-3-4-15(8-16)18-12-30-13-18)10-19(11-27-14)28-22(29)17-6-7-26-21(9-17)23(2,24)25/h7-13H,6,15-16H2,1-5H3,(H,32,33);4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,31,33);5-6,9-13,32H,7-8,14-15H2,1-4H3,(H,31,33);5-13H,14-15H2,1-4H3,(H,29,30);5-11H,4,12-13H2,1-3H3,(H,31,32);4-12H,13-14H2,1-3H3,(H,29,30);3-11,18H,12-13H2,1-2H3,(H,28,29).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 3192.48 g/mol, XLogP of 32.23, 46 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[3-(oxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[3-(3-methyloxetan-3-yl)phenyl]-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 158281403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).