N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide

C101H95F8N17O16 — CID 157387532

IUPACN-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide
SMILESN#CCC(=O)N1CC[C@H](Oc2ccc(-c3cc(NC(=O)C4CC4)ccn3)cc2C#N)C(F)(F)C1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)C2CCC(=O)C2)CC1(F)F.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)C2COC(=O)C2)CC1(F)F.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)CCO)CC1(F)F
InChIInChI=1S/C27H26F2N4O4.C26H24F2N4O5.C24H21F2N5O3.C24H24F2N4O4/c28-27(29)15-33(26(36)18-3-5-21(34)12-18)10-8-24(27)37-23-6-4-17(11-19(23)14-30)22-13-20(7-9-31-22)32-25(35)16-1-2-16;27-26(28)14-32(25(35)18-10-23(33)36-13-18)8-6-22(26)37-21-4-3-16(9-17(21)12-29)20-11-19(5-7-30-20)31-24(34)15-1-2-15;25-24(26)14-31(22(32)5-8-27)10-7-21(24)34-20-4-3-16(11-17(20)13-28)19-12-18(6-9-29-19)30-23(33)15-1-2-15;25-24(26)14-30(22(32)7-10-31)9-6-21(24)34-20-4-3-16(11-17(20)13-27)19-12-18(5-8-28-19)29-23(33)15-1-2-15/h4,6-7,9,11,13,16,18,24H,1-3,5,8,10,12,15H2,(H,31,32,35);3-5,7,9,11,15,18,22H,1-2,6,8,10,13-14H2,(H,30,31,34);3-4,6,9,11-12,15,21H,1-2,5,7,10,14H2,(H,29,30,33);3-5,8,11-12,15,21,31H,1-2,6-7,9-10,14H2,(H,28,29,33)/t18?,24-;18?,22-;2*21-/m0000/s1
InChIKeyBLPLFCUGLNNJQJ-XOMGBSOSSA-N
MW1954.96 g/mol
LogP13.56
Rot. Bonds25

About N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide

N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide (PubChem CID 157387532) has the molecular formula C101H95F8N17O16 and a molecular weight of 1954.96 g/mol. Its IUPAC name is N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide
PubChem CID157387532
Molecular FormulaC101H95F8N17O16
Molecular Weight1954.96 g/mol
Exact Mass1953.70
IUPAC NameN-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide
SMILESN#CCC(=O)N1CC[C@H](Oc2ccc(-c3cc(NC(=O)C4CC4)ccn3)cc2C#N)C(F)(F)C1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)C2CCC(=O)C2)CC1(F)F.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)C2COC(=O)C2)CC1(F)F.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)CCO)CC1(F)F
InChIInChI=1S/C27H26F2N4O4.C26H24F2N4O5.C24H21F2N5O3.C24H24F2N4O4/c28-27(29)15-33(26(36)18-3-5-21(34)12-18)10-8-24(27)37-23-6-4-17(11-19(23)14-30)22-13-20(7-9-31-22)32-25(35)16-1-2-16;27-26(28)14-32(25(35)18-10-23(33)36-13-18)8-6-22(26)37-21-4-3-16(9-17(21)12-29)20-11-19(5-7-30-20)31-24(34)15-1-2-15;25-24(26)14-31(22(32)5-8-27)10-7-21(24)34-20-4-3-16(11-17(20)13-28)19-12-18(6-9-29-19)30-23(33)15-1-2-15;25-24(26)14-30(22(32)7-10-31)9-6-21(24)34-20-4-3-16(11-17(20)13-27)19-12-18(5-8-28-19)29-23(33)15-1-2-15/h4,6-7,9,11,13,16,18,24H,1-3,5,8,10,12,15H2,(H,31,32,35);3-5,7,9,11,15,18,22H,1-2,6,8,10,13-14H2,(H,30,31,34);3-4,6,9,11-12,15,21H,1-2,5,7,10,14H2,(H,29,30,33);3-5,8,11-12,15,21,31H,1-2,6-7,9-10,14H2,(H,28,29,33)/t18?,24-;18?,22-;2*21-/m0000/s1
InChIKeyBLPLFCUGLNNJQJ-XOMGBSOSSA-N
XLogP13.56
TPSA468.67 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001954.96
LogP ≤ 513.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

trans-(1S,2S)-N-[3-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[3-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 157208584
N-[3-[3-cyano-4-[3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide
CID 157777342
N-[3-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-methyl-4H-imidazole-5-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide
CID 157777344
N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]phenyl]-1-(fluoromethyl)cyclopropane-1-carboxamide
CID 157957739
trans-(1R,2R)-N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 157963442
(2S)-N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[3-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158174381
trans-(1S,2S)-N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[3-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[3-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158174382
1-cyano-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]cyclopropane-1-carboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2,2-difluorocyclopropane-1-carboxamide;(2S)-N-[3-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-fluorocyclopropane-1-carboxamide
CID 158235796
[2-[(4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate;[2-[(4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate;[2-[(4S)-4-[2-cyano-4-[4-(cyclopropanecarbonylamino)-2-pyridinyl]phenoxy]-3,3-difluoropiperidin-1-yl]-2-oxoethyl] dihydrogen phosphate;N-[3-[3-cyano-4-[(4S)-1-[(2S)-2,3-dihydroxypropanoyl]-3,3-difluoropiperidin-4-yl]oxyphenyl]phenyl]cyclopropanecarboxamide
CID 158359772
N-[2-[3-(aminomethyl)-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[3-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-1-cyanocyclopropane-1-carboxamide;N-[2-[3-(aminomethyl)-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
CID 158907024
trans-(1R,2R)-N-[3-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[3-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide;trans-(1R,2R)-N-[2-[3-cyano-4-[(3R,4S)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159337053
N-[2-[3-cyano-4-[(4R)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(3R,4R)-3-fluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(2S,4S)-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;trans-(1R,2R)-N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 159596912

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide (CID 157387532) is N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide is N#CCC(=O)N1CC[C@H](Oc2ccc(-c3cc(NC(=O)C4CC4)ccn3)cc2C#N)C(F)(F)C1.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)C2CCC(=O)C2)CC1(F)F.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)C2COC(=O)C2)CC1(F)F.N#Cc1cc(-c2cc(NC(=O)C3CC3)ccn2)ccc1O[C@H]1CCN(C(=O)CCO)CC1(F)F.
What is the InChIKey of N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide?
The InChIKey is BLPLFCUGLNNJQJ-XOMGBSOSSA-N. The full InChI is InChI=1S/C27H26F2N4O4.C26H24F2N4O5.C24H21F2N5O3.C24H24F2N4O4/c28-27(29)15-33(26(36)18-3-5-21(34)12-18)10-8-24(27)37-23-6-4-17(11-19(23)14-30)22-13-20(7-9-31-22)32-25(35)16-1-2-16;27-26(28)14-32(25(35)18-10-23(33)36-13-18)8-6-22(26)37-21-4-3-16(9-17(21)12-29)20-11-19(5-7-30-20)31-24(34)15-1-2-15;25-24(26)14-31(22(32)5-8-27)10-7-21(24)34-20-4-3-16(11-17(20)13-28)19-12-18(6-9-29-19)30-23(33)15-1-2-15;25-24(26)14-30(22(32)7-10-31)9-6-21(24)34-20-4-3-16(11-17(20)13-27)19-12-18(5-8-28-19)29-23(33)15-1-2-15/h4,6-7,9,11,13,16,18,24H,1-3,5,8,10,12,15H2,(H,31,32,35);3-5,7,9,11,15,18,22H,1-2,6,8,10,13-14H2,(H,30,31,34);3-4,6,9,11-12,15,21H,1-2,5,7,10,14H2,(H,29,30,33);3-5,8,11-12,15,21,31H,1-2,6-7,9-10,14H2,(H,28,29,33)/t18?,24-;18?,22-;2*21-/m0000/s1.
What are the key properties of N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide?
N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1954.96 g/mol, XLogP of 13.56, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-cyano-4-[(4S)-1-(2-cyanoacetyl)-3,3-difluoropiperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-hydroxypropanoyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(3-oxocyclopentanecarbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide;N-[2-[3-cyano-4-[(4S)-3,3-difluoro-1-(5-oxooxolane-3-carbonyl)piperidin-4-yl]oxyphenyl]-4-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157387532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).