2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone

C184H182F12N24O29S — CID 159306868

IUPAC2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone
SMILESCCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(CF)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cc(OCCO)n2)COC1.COc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(=O)=O)c3)ccc2C)cc1C1(O)COC1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(-c2cnn(C)c2)c(C2(O)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1
InChIInChI=1S/C28H27FN4O4.C27H25F2N5O3.C27H27F2N3O4.C26H24F3N3O4.C26H28F2N4O3.C26H27F2N3O5.C24H24N2O6S/c1-17-23(19-6-20(27(29)13-36-14-27)9-21(7-19)28(35)15-37-16-28)10-22(11-32-17)33-25(34)18-4-5-31-24(8-18)26(2,3)12-30;1-16-4-5-20(33-25(35)17-6-7-30-23(9-17)26(2,28)29)10-21(16)18-8-22(27(36)14-37-15-27)24(31-11-18)19-12-32-34(3)13-19;1-16-22(10-21(11-31-16)32-24(33)17-4-5-30-23(8-17)25(2,3)28)18-6-19(26(29)12-35-13-26)9-20(7-18)27(34)14-36-15-27;1-15-21(9-20(10-31-15)32-23(33)16-3-4-30-22(7-16)24(2,27)28)17-5-18(25(29)11-35-12-25)8-19(6-17)26(34)13-36-14-26;1-5-35-24-21(26(13-27)14-34-15-26)8-18(11-31-24)20-10-19(12-30-16(20)2)32-23(33)17-6-7-29-22(9-17)25(3,4)28;1-16-4-5-19(30-24(33)17-6-7-29-21(10-17)25(2,27)28)13-20(16)18-11-22(26(34-3)14-35-15-26)31-23(12-18)36-9-8-32;1-15-4-5-17(21(27)8-16-6-7-25-22(9-16)33(3,29)30)10-19(15)18-11-20(23(31-2)26-12-18)24(28)13-32-14-24/h4-11,35H,13-16H2,1-3H3,(H,33,34);4-13,36H,14-15H2,1-3H3,(H,33,35);4-11,34H,12-15H2,1-3H3,(H,32,33);3-10,34H,11-14H2,1-2H3,(H,32,33);6-12H,5,13-15H2,1-4H3,(H,32,33);4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,30,33);4-7,9-12,28H,8,13-14H2,1-3H3
InChIKeyLCAIIAONKRWOGF-UHFFFAOYSA-N
MW3453.66 g/mol
LogP28.41
Rot. Bonds48

About 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone

2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone (PubChem CID 159306868) has the molecular formula C184H182F12N24O29S and a molecular weight of 3453.66 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone
PubChem CID159306868
Molecular FormulaC184H182F12N24O29S
Molecular Weight3453.66 g/mol
Exact Mass3451.30
IUPAC Name2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone
SMILESCCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(CF)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cc(OCCO)n2)COC1.COc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(=O)=O)c3)ccc2C)cc1C1(O)COC1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(-c2cnn(C)c2)c(C2(O)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1
InChIInChI=1S/C28H27FN4O4.C27H25F2N5O3.C27H27F2N3O4.C26H24F3N3O4.C26H28F2N4O3.C26H27F2N3O5.C24H24N2O6S/c1-17-23(19-6-20(27(29)13-36-14-27)9-21(7-19)28(35)15-37-16-28)10-22(11-32-17)33-25(34)18-4-5-31-24(8-18)26(2,3)12-30;1-16-4-5-20(33-25(35)17-6-7-30-23(9-17)26(2,28)29)10-21(16)18-8-22(27(36)14-37-15-27)24(31-11-18)19-12-32-34(3)13-19;1-16-22(10-21(11-31-16)32-24(33)17-4-5-30-23(8-17)25(2,3)28)18-6-19(26(29)12-35-13-26)9-20(7-18)27(34)14-36-15-27;1-15-21(9-20(10-31-15)32-23(33)16-3-4-30-22(7-16)24(2,27)28)17-5-18(25(29)11-35-12-25)8-19(6-17)26(34)13-36-14-26;1-5-35-24-21(26(13-27)14-34-15-26)8-18(11-31-24)20-10-19(12-30-16(20)2)32-23(33)17-6-7-29-22(9-17)25(3,4)28;1-16-4-5-19(30-24(33)17-6-7-29-21(10-17)25(2,27)28)13-20(16)18-11-22(26(34-3)14-35-15-26)31-23(12-18)36-9-8-32;1-15-4-5-17(21(27)8-16-6-7-25-22(9-16)33(3,29)30)10-19(15)18-11-20(23(31-2)26-12-18)24(28)13-32-14-24/h4-11,35H,13-16H2,1-3H3,(H,33,34);4-13,36H,14-15H2,1-3H3,(H,33,35);4-11,34H,12-15H2,1-3H3,(H,32,33);3-10,34H,11-14H2,1-2H3,(H,32,33);6-12H,5,13-15H2,1-4H3,(H,32,33);4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,30,33);4-7,9-12,28H,8,13-14H2,1-3H3
InChIKeyLCAIIAONKRWOGF-UHFFFAOYSA-N
XLogP28.41
TPSA711.37 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds48
Heavy Atoms250
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003453.66
LogP ≤ 528.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Analyze 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone (CID 159306868) is 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone is CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(CF)COC1.COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cc(OCCO)n2)COC1.COc1ncc(-c2cc(C(=O)Cc3ccnc(S(C)(=O)=O)c3)ccc2C)cc1C1(O)COC1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(-c2cnn(C)c2)c(C2(O)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2(O)COC2)cc(C2(F)COC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone?
The InChIKey is LCAIIAONKRWOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O4.C27H25F2N5O3.C27H27F2N3O4.C26H24F3N3O4.C26H28F2N4O3.C26H27F2N3O5.C24H24N2O6S/c1-17-23(19-6-20(27(29)13-36-14-27)9-21(7-19)28(35)15-37-16-28)10-22(11-32-17)33-25(34)18-4-5-31-24(8-18)26(2,3)12-30;1-16-4-5-20(33-25(35)17-6-7-30-23(9-17)26(2,28)29)10-21(16)18-8-22(27(36)14-37-15-27)24(31-11-18)19-12-32-34(3)13-19;1-16-22(10-21(11-31-16)32-24(33)17-4-5-30-23(8-17)25(2,3)28)18-6-19(26(29)12-35-13-26)9-20(7-18)27(34)14-36-15-27;1-15-21(9-20(10-31-15)32-23(33)16-3-4-30-22(7-16)24(2,27)28)17-5-18(25(29)11-35-12-25)8-19(6-17)26(34)13-36-14-26;1-5-35-24-21(26(13-27)14-34-15-26)8-18(11-31-24)20-10-19(12-30-16(20)2)32-23(33)17-6-7-29-22(9-17)25(3,4)28;1-16-4-5-19(30-24(33)17-6-7-29-21(10-17)25(2,27)28)13-20(16)18-11-22(26(34-3)14-35-15-26)31-23(12-18)36-9-8-32;1-15-4-5-17(21(27)8-16-6-7-25-22(9-16)33(3,29)30)10-19(15)18-11-20(23(31-2)26-12-18)24(28)13-32-14-24/h4-11,35H,13-16H2,1-3H3,(H,33,34);4-13,36H,14-15H2,1-3H3,(H,33,35);4-11,34H,12-15H2,1-3H3,(H,32,33);3-10,34H,11-14H2,1-2H3,(H,32,33);6-12H,5,13-15H2,1-4H3,(H,32,33);4-7,10-13,32H,8-9,14-15H2,1-3H3,(H,30,33);4-7,9-12,28H,8,13-14H2,1-3H3.
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone?
2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone has a molecular weight of 3453.66 g/mol, XLogP of 28.41, 48 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[5-(3-hydroxyoxetan-3-yl)-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxetan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;1-[3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-2-(2-methylsulfonyl-4-pyridinyl)ethanone is sourced from PubChem (CID 159306868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).