2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C138H144F15N17O20 — CID 159411665

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2(C)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1
InChIInChI=1S/C30H33FN4O4.C28H30F3N3O4.C27H27F4N3O4.C27H28F3N3O4.C26H26F4N4O4/c1-20-4-5-23(34-28(37)21-6-9-33-25(14-21)29(2,3)19-32)17-24(20)22-15-26(35-27(16-22)39-13-10-36)30(18-31)7-11-38-12-8-30;1-18-3-4-21(33-26(36)19-5-8-32-23(13-19)27(2,30)31)16-22(18)20-14-24(34-25(15-20)38-12-9-35)28(17-29)6-10-37-11-7-28;1-17-2-3-20(33-25(36)18-4-7-32-23(12-18)27(29,30)31)15-21(17)19-13-22(34-24(14-19)38-11-8-35)26(16-28)5-9-37-10-6-26;1-17-3-4-20(32-25(35)22-15-19(5-8-31-22)27(28,29)30)16-21(17)18-13-23(26(2)6-10-36-11-7-26)33-24(14-18)37-12-9-34;1-16-2-3-19(32-24(36)18-11-22(26(28,29)30)34-31-14-18)13-20(16)17-10-21(33-23(12-17)38-9-6-35)25(15-27)4-7-37-8-5-25/h4-6,9,14-17,36H,7-8,10-13,18H2,1-3H3,(H,34,37);3-5,8,13-16,35H,6-7,9-12,17H2,1-2H3,(H,33,36);2-4,7,12-15,35H,5-6,8-11,16H2,1H3,(H,33,36);3-5,8,13-16,34H,6-7,9-12H2,1-2H3,(H,32,35);2-3,10-14,35H,4-9,15H2,1H3,(H,32,36)
InChIKeyLOQOYLHSBOYLEO-UHFFFAOYSA-N
MW2645.74 g/mol
LogP24.88
Rot. Bonds41

About 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 159411665) has the molecular formula C138H144F15N17O20 and a molecular weight of 2645.74 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID159411665
Molecular FormulaC138H144F15N17O20
Molecular Weight2645.74 g/mol
Exact Mass2644.05
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2(C)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1
InChIInChI=1S/C30H33FN4O4.C28H30F3N3O4.C27H27F4N3O4.C27H28F3N3O4.C26H26F4N4O4/c1-20-4-5-23(34-28(37)21-6-9-33-25(14-21)29(2,3)19-32)17-24(20)22-15-26(35-27(16-22)39-13-10-36)30(18-31)7-11-38-12-8-30;1-18-3-4-21(33-26(36)19-5-8-32-23(13-19)27(2,30)31)16-22(18)20-14-24(34-25(15-20)38-12-9-35)28(17-29)6-10-37-11-7-28;1-17-2-3-20(33-25(36)18-4-7-32-23(12-18)27(29,30)31)15-21(17)19-13-22(34-24(14-19)38-11-8-35)26(16-28)5-9-37-10-6-26;1-17-3-4-20(32-25(35)22-15-19(5-8-31-22)27(28,29)30)16-21(17)18-13-23(26(2)6-10-36-11-7-26)33-24(14-18)37-12-9-34;1-16-2-3-19(32-24(36)18-11-22(26(28,29)30)34-31-14-18)13-20(16)17-10-21(33-23(12-17)38-9-6-35)25(15-27)4-7-37-8-5-25/h4-6,9,14-17,36H,7-8,10-13,18H2,1-3H3,(H,34,37);3-5,8,13-16,35H,6-7,9-12,17H2,1-2H3,(H,33,36);2-4,7,12-15,35H,5-6,8-11,16H2,1H3,(H,33,36);3-5,8,13-16,34H,6-7,9-12H2,1-2H3,(H,32,35);2-3,10-14,35H,4-9,15H2,1H3,(H,32,36)
InChIKeyLOQOYLHSBOYLEO-UHFFFAOYSA-N
XLogP24.88
TPSA504.53 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds41
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002645.74
LogP ≤ 524.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

US10167279, Example 271
CID 134609347
US10167279, Example 207
CID 134609559
US10167279, Example 212
CID 134609569
US10167279, Example 217
CID 135133443
N-[3-[6-[2-[4-[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(2-hydroxyethoxy)pyridazin-4-yl]morpholin-2-yl]oxyethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 130425563
2-(2-cyanopropan-2-yl)-N-[3-[5-[(3R)-2-[2-[6-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-[(3R)-3-methyl-2-[2-[4-[(3R)-3-methylmorpholin-4-yl]-6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]oxyethyl]-3-methylmorpholin-4-yl]-6-ethoxypyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425581
2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-[2-[[4-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]piperidin-1-yl]methyl]morpholin-4-yl]-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425624
6-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[2-[2-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-4-morpholin-4-ylpyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridazine-4-carboxamide
CID 130425658
6-(2-cyanopropan-2-yl)-N-[3-[4-[[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-3-[4-[[4-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-4-methyl-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
CID 130425662
2-(2-cyanopropan-2-yl)-N-[3-[6-[1-[4-[6-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(2-methoxyethoxy)pyridazin-4-yl]morpholin-2-yl]propan-2-yloxy]-5-[2-[2-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-4-morpholin-4-ylpyridazin-3-yl]oxypropyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425721
N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130425793
N-[3-[6-[2-[4-[3-ethoxy-6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]pyridazin-4-yl]oxan-2-yl]ethoxy]-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 135139136

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 159411665) is 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCCO)nc(C2(C)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(C2(CF)CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LOQOYLHSBOYLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O4.C28H30F3N3O4.C27H27F4N3O4.C27H28F3N3O4.C26H26F4N4O4/c1-20-4-5-23(34-28(37)21-6-9-33-25(14-21)29(2,3)19-32)17-24(20)22-15-26(35-27(16-22)39-13-10-36)30(18-31)7-11-38-12-8-30;1-18-3-4-21(33-26(36)19-5-8-32-23(13-19)27(2,30)31)16-22(18)20-14-24(34-25(15-20)38-12-9-35)28(17-29)6-10-37-11-7-28;1-17-2-3-20(33-25(36)18-4-7-32-23(12-18)27(29,30)31)15-21(17)19-13-22(34-24(14-19)38-11-8-35)26(16-28)5-9-37-10-6-26;1-17-3-4-20(32-25(35)22-15-19(5-8-31-22)27(28,29)30)16-21(17)18-13-23(26(2)6-10-36-11-7-26)33-24(14-18)37-12-9-34;1-16-2-3-19(32-24(36)18-11-22(26(28,29)30)34-31-14-18)13-20(16)17-10-21(33-23(12-17)38-9-6-35)25(15-27)4-7-37-8-5-25/h4-6,9,14-17,36H,7-8,10-13,18H2,1-3H3,(H,34,37);3-5,8,13-16,35H,6-7,9-12,17H2,1-2H3,(H,33,36);2-4,7,12-15,35H,5-6,8-11,16H2,1H3,(H,33,36);3-5,8,13-16,34H,6-7,9-12H2,1-2H3,(H,32,35);2-3,10-14,35H,4-9,15H2,1H3,(H,32,36).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 2645.74 g/mol, XLogP of 24.88, 41 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159411665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).