2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide

C139H144F12N38O10S4 — CID 163905182

IUPAC2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
SMILESCCOc1ccc(C)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1.Cc1ccc(OC(C)C)c(-c2cc(CNC(=O)c3cc(F)ccc3N3CCCCC3)[nH]n2)c1.O=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1cccnc1N1CC(F)(F)C1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCC(F)(F)C1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCC(F)(F)CC1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCCC(F)(F)C1
InChIInChI=1S/C26H31FN4O2.C24H27FN4O2.C22H22F2N4O2.2C17H17F2N7OS.C17H15F2N5OS.C16H15F2N7OS/c1-17(2)33-25-10-7-18(3)13-21(25)23-15-20(29-30-23)16-28-26(32)22-14-19(27)8-9-24(22)31-11-5-4-6-12-31;1-3-31-23-9-6-16(2)12-19(23)21-14-18(27-28-21)15-26-24(30)20-13-17(25)7-8-22(20)29-10-4-5-11-29;23-14-4-6-20(28-8-2-1-3-9-28)18(11-14)22(30)25-13-16-12-19(27-26-16)17-10-15(24)5-7-21(17)29;18-17(19)4-2-7-26(10-17)15-13(20-5-6-21-15)16(27)22-9-12-23-14(25-24-12)11-3-1-8-28-11;18-17(19)3-7-26(8-4-17)15-13(20-5-6-21-15)16(27)22-10-12-23-14(25-24-12)11-2-1-9-28-11;18-17(19)9-24(10-17)15-12(3-1-5-20-15)16(25)21-8-11-7-13(23-22-11)14-4-2-6-26-14;17-16(18)3-6-25(9-16)14-12(19-4-5-20-14)15(26)21-8-11-22-13(24-23-11)10-2-1-7-27-10/h7-10,13-15,17H,4-6,11-12,16H2,1-3H3,(H,28,32)(H,29,30);6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,26,30)(H,27,28);4-7,10-12,29H,1-3,8-9,13H2,(H,25,30)(H,26,27);1,3,5-6,8H,2,4,7,9-10H2,(H,22,27)(H,23,24,25);1-2,5-6,9H,3-4,7-8,10H2,(H,22,27)(H,23,24,25);1-7H,8-10H2,(H,21,25)(H,22,23);1-2,4-5,7H,3,6,8-9H2,(H,21,26)(H,22,23,24)
InChIKeyQNHUXMITPBVAMN-UHFFFAOYSA-N
MW2863.18 g/mol
LogP23.66
Rot. Bonds39

About 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide

2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide (PubChem CID 163905182) has the molecular formula C139H144F12N38O10S4 and a molecular weight of 2863.18 g/mol. Its IUPAC name is 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
PubChem CID163905182
Molecular FormulaC139H144F12N38O10S4
Molecular Weight2863.18 g/mol
Exact Mass2861.06
IUPAC Name2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
SMILESCCOc1ccc(C)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1.Cc1ccc(OC(C)C)c(-c2cc(CNC(=O)c3cc(F)ccc3N3CCCCC3)[nH]n2)c1.O=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1cccnc1N1CC(F)(F)C1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCC(F)(F)C1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCC(F)(F)CC1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCCC(F)(F)C1
InChIInChI=1S/C26H31FN4O2.C24H27FN4O2.C22H22F2N4O2.2C17H17F2N7OS.C17H15F2N5OS.C16H15F2N7OS/c1-17(2)33-25-10-7-18(3)13-21(25)23-15-20(29-30-23)16-28-26(32)22-14-19(27)8-9-24(22)31-11-5-4-6-12-31;1-3-31-23-9-6-16(2)12-19(23)21-14-18(27-28-21)15-26-24(30)20-13-17(25)7-8-22(20)29-10-4-5-11-29;23-14-4-6-20(28-8-2-1-3-9-28)18(11-14)22(30)25-13-16-12-19(27-26-16)17-10-15(24)5-7-21(17)29;18-17(19)4-2-7-26(10-17)15-13(20-5-6-21-15)16(27)22-9-12-23-14(25-24-12)11-3-1-8-28-11;18-17(19)3-7-26(8-4-17)15-13(20-5-6-21-15)16(27)22-10-12-23-14(25-24-12)11-2-1-9-28-11;18-17(19)9-24(10-17)15-12(3-1-5-20-15)16(25)21-8-11-7-13(23-22-11)14-4-2-6-26-14;17-16(18)3-6-25(9-16)14-12(19-4-5-20-14)15(26)21-8-11-22-13(24-23-11)10-2-1-7-27-10/h7-10,13-15,17H,4-6,11-12,16H2,1-3H3,(H,28,32)(H,29,30);6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,26,30)(H,27,28);4-7,10-12,29H,1-3,8-9,13H2,(H,25,30)(H,26,27);1,3,5-6,8H,2,4,7,9-10H2,(H,22,27)(H,23,24,25);1-2,5-6,9H,3-4,7-8,10H2,(H,22,27)(H,23,24,25);1-7H,8-10H2,(H,21,25)(H,22,23);1-2,4-5,7H,3,6,8-9H2,(H,21,26)(H,22,23,24)
InChIKeyQNHUXMITPBVAMN-UHFFFAOYSA-N
XLogP23.66
TPSA594.73 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002863.18
LogP ≤ 523.66
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Analyze 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide with MolForge

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Related Compounds

CID 157373472
CID 157373472
CID 158268952
CID 158268952
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158732130
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
1-[(2S,4R)-1-[2-[3-acetyl-6-hydroxy-5-(2-methylpyrimidin-5-yl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-(6-methylborinin-2-yl)ethanone;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[2-fluoro-3-(3-methylthiophen-2-yl)phenyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)indazol-1-yl]acetyl]-N-(6-bromopyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 159484533
2,5-dimethylfuran;1,4-dimethylpyrazole;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;(3R)-3-fluoro-1-methylpyrrolidine;(3S)-3-fluoro-1-methylpyrrolidine;1-methoxybut-2-ene;2-methyl-1-benzofuran;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;4-methyl-3,6-dihydro-2H-pyran;1-methylimidazole;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;3-methylpyridine;6-methyl-1H-pyridin-2-one;1-methylpyrrole;2-methyl-1H-pyrrole;1-methylpyrrolidine;1-methylpyrrolidin-3-ol;(3S)-1-methylpyrrolidin-3-ol;(3R)-1-methylpyrrolidin-3-ol;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;4-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,2,5-trimethylpyrrole
CID 159645627
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 160546885
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 162029892
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 162134179
2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
CID 163534664
2-(azepan-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2-(3,3-difluoropyrrolidin-1-yl)-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;5-fluoro-N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide;N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide;N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 163556470
5-cyano-2-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;5-cyano-2-pyrrolidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;3-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;2-(3,3-difluoropiperidin-1-yl)-5-hydroxy-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;5-fluoro-2-piperidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2-pyrrolidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide;2-pyrrolidin-1-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-5-(trifluoromethyl)benzamide
CID 163918738

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide (CID 163905182) is 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide is CCOc1ccc(C)cc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1.Cc1ccc(OC(C)C)c(-c2cc(CNC(=O)c3cc(F)ccc3N3CCCCC3)[nH]n2)c1.O=C(NCc1cc(-c2cc(F)ccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1cccnc1N1CC(F)(F)C1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCC(F)(F)C1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCC(F)(F)CC1.O=C(NCc1nc(-c2cccs2)n[nH]1)c1nccnc1N1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is QNHUXMITPBVAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O2.C24H27FN4O2.C22H22F2N4O2.2C17H17F2N7OS.C17H15F2N5OS.C16H15F2N7OS/c1-17(2)33-25-10-7-18(3)13-21(25)23-15-20(29-30-23)16-28-26(32)22-14-19(27)8-9-24(22)31-11-5-4-6-12-31;1-3-31-23-9-6-16(2)12-19(23)21-14-18(27-28-21)15-26-24(30)20-13-17(25)7-8-22(20)29-10-4-5-11-29;23-14-4-6-20(28-8-2-1-3-9-28)18(11-14)22(30)25-13-16-12-19(27-26-16)17-10-15(24)5-7-21(17)29;18-17(19)4-2-7-26(10-17)15-13(20-5-6-21-15)16(27)22-9-12-23-14(25-24-12)11-3-1-8-28-11;18-17(19)3-7-26(8-4-17)15-13(20-5-6-21-15)16(27)22-10-12-23-14(25-24-12)11-2-1-9-28-11;18-17(19)9-24(10-17)15-12(3-1-5-20-15)16(25)21-8-11-7-13(23-22-11)14-4-2-6-26-14;17-16(18)3-6-25(9-16)14-12(19-4-5-20-14)15(26)21-8-11-22-13(24-23-11)10-2-1-7-27-10/h7-10,13-15,17H,4-6,11-12,16H2,1-3H3,(H,28,32)(H,29,30);6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,26,30)(H,27,28);4-7,10-12,29H,1-3,8-9,13H2,(H,25,30)(H,26,27);1,3,5-6,8H,2,4,7,9-10H2,(H,22,27)(H,23,24,25);1-2,5-6,9H,3-4,7-8,10H2,(H,22,27)(H,23,24,25);1-7H,8-10H2,(H,21,25)(H,22,23);1-2,4-5,7H,3,6,8-9H2,(H,21,26)(H,22,23,24).
What are the key properties of 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide?
2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 2863.18 g/mol, XLogP of 23.66, 39 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 163905182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).