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

C154H167F4N29O13S — CID 163556470

IUPAC2-(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
SMILESCOc1ccccc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCC(F)(F)C2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCCC2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCCCC2)[nH]n1.COc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2N2CCCCC2)n1.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCCCCC1
InChIInChI=1S/C23H26N4O2.C22H22F2N4O2.2C22H23FN4O2.C22H25N5O2.C22H24N4O2.C21H24N4OS/c1-29-22-12-6-4-9-18(22)20-15-17(25-26-20)16-24-23(28)19-10-3-5-11-21(19)27-13-7-2-8-14-27;1-30-20-9-5-3-6-16(20)18-12-15(26-27-18)13-25-21(29)17-7-2-4-8-19(17)28-11-10-22(23,24)14-28;1-29-21-7-3-2-6-17(21)19-13-16(25-26-19)14-24-22(28)18-12-15(23)8-9-20(18)27-10-4-5-11-27;23-15-8-9-20(27-10-4-1-5-11-27)18(12-15)22(29)24-14-16-13-19(26-25-16)17-6-2-3-7-21(17)28;1-29-19-12-6-4-10-17(19)21-24-20(25-26-21)15-23-22(28)16-9-3-5-11-18(16)27-13-7-2-8-14-27;1-28-21-11-5-3-8-17(21)19-14-16(24-25-19)15-23-22(27)18-9-2-4-10-20(18)26-12-6-7-13-26;26-21(22-15-16-14-18(24-23-16)20-10-7-13-27-20)17-8-3-4-9-19(17)25-11-5-1-2-6-12-25/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3,(H,24,28)(H,25,26);2-9,12H,10-11,13-14H2,1H3,(H,25,29)(H,26,27);2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,24,28)(H,25,26);2-3,6-9,12-13,28H,1,4-5,10-11,14H2,(H,24,29)(H,25,26);3-6,9-12H,2,7-8,13-15H2,1H3,(H,23,28)(H,24,25,26);2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,23,27)(H,24,25);3-4,7-10,13-14H,1-2,5-6,11-12,15H2,(H,22,26)(H,23,24)
InChIKeyFNMJXTJZKOJTLG-UHFFFAOYSA-N
MW2740.28 g/mol
LogP26.93
Rot. Bonds40

About 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

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 (PubChem CID 163556470) has the molecular formula C154H167F4N29O13S and a molecular weight of 2740.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID163556470
Molecular FormulaC154H167F4N29O13S
Molecular Weight2740.28 g/mol
Exact Mass2738.30
IUPAC Name2-(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
SMILESCOc1ccccc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCC(F)(F)C2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCCC2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCCCC2)[nH]n1.COc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2N2CCCCC2)n1.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCCCCC1
InChIInChI=1S/C23H26N4O2.C22H22F2N4O2.2C22H23FN4O2.C22H25N5O2.C22H24N4O2.C21H24N4OS/c1-29-22-12-6-4-9-18(22)20-15-17(25-26-20)16-24-23(28)19-10-3-5-11-21(19)27-13-7-2-8-14-27;1-30-20-9-5-3-6-16(20)18-12-15(26-27-18)13-25-21(29)17-7-2-4-8-19(17)28-11-10-22(23,24)14-28;1-29-21-7-3-2-6-17(21)19-13-16(25-26-19)14-24-22(28)18-12-15(23)8-9-20(18)27-10-4-5-11-27;23-15-8-9-20(27-10-4-1-5-11-27)18(12-15)22(29)24-14-16-13-19(26-25-16)17-6-2-3-7-21(17)28;1-29-19-12-6-4-10-17(19)21-24-20(25-26-21)15-23-22(28)16-9-3-5-11-18(16)27-13-7-2-8-14-27;1-28-21-11-5-3-8-17(21)19-14-16(24-25-19)15-23-22(27)18-9-2-4-10-20(18)26-12-6-7-13-26;26-21(22-15-16-14-18(24-23-16)20-10-7-13-27-20)17-8-3-4-9-19(17)25-11-5-1-2-6-12-25/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3,(H,24,28)(H,25,26);2-9,12H,10-11,13-14H2,1H3,(H,25,29)(H,26,27);2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,24,28)(H,25,26);2-3,6-9,12-13,28H,1,4-5,10-11,14H2,(H,24,29)(H,25,26);3-6,9-12H,2,7-8,13-15H2,1H3,(H,23,28)(H,24,25,26);2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,23,27)(H,24,25);3-4,7-10,13-14H,1-2,5-6,11-12,15H2,(H,22,26)(H,23,24)
InChIKeyFNMJXTJZKOJTLG-UHFFFAOYSA-N
XLogP26.93
TPSA506.41 Ų
H-Bond Donors15
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002740.28
LogP ≤ 526.93
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

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-(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
2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]benzamide;2-(3,3-difluoropiperidin-1-yl)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide;N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 164023301

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1-c1cc(CNC(=O)c2cc(F)ccc2N2CCCC2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCC(F)(F)C2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCCC2)[nH]n1.COc1ccccc1-c1cc(CNC(=O)c2ccccc2N2CCCCC2)[nH]n1.COc1ccccc1-c1n[nH]c(CNC(=O)c2ccccc2N2CCCCC2)n1.O=C(NCc1cc(-c2ccccc2O)n[nH]1)c1cc(F)ccc1N1CCCCC1.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCCCCC1.
What is the InChIKey of 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?
The InChIKey is FNMJXTJZKOJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C22H22F2N4O2.2C22H23FN4O2.C22H25N5O2.C22H24N4O2.C21H24N4OS/c1-29-22-12-6-4-9-18(22)20-15-17(25-26-20)16-24-23(28)19-10-3-5-11-21(19)27-13-7-2-8-14-27;1-30-20-9-5-3-6-16(20)18-12-15(26-27-18)13-25-21(29)17-7-2-4-8-19(17)28-11-10-22(23,24)14-28;1-29-21-7-3-2-6-17(21)19-13-16(25-26-19)14-24-22(28)18-12-15(23)8-9-20(18)27-10-4-5-11-27;23-15-8-9-20(27-10-4-1-5-11-27)18(12-15)22(29)24-14-16-13-19(26-25-16)17-6-2-3-7-21(17)28;1-29-19-12-6-4-10-17(19)21-24-20(25-26-21)15-23-22(28)16-9-3-5-11-18(16)27-13-7-2-8-14-27;1-28-21-11-5-3-8-17(21)19-14-16(24-25-19)15-23-22(27)18-9-2-4-10-20(18)26-12-6-7-13-26;26-21(22-15-16-14-18(24-23-16)20-10-7-13-27-20)17-8-3-4-9-19(17)25-11-5-1-2-6-12-25/h3-6,9-12,15H,2,7-8,13-14,16H2,1H3,(H,24,28)(H,25,26);2-9,12H,10-11,13-14H2,1H3,(H,25,29)(H,26,27);2-3,6-9,12-13H,4-5,10-11,14H2,1H3,(H,24,28)(H,25,26);2-3,6-9,12-13,28H,1,4-5,10-11,14H2,(H,24,29)(H,25,26);3-6,9-12H,2,7-8,13-15H2,1H3,(H,23,28)(H,24,25,26);2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,23,27)(H,24,25);3-4,7-10,13-14H,1-2,5-6,11-12,15H2,(H,22,26)(H,23,24).
What are the key properties of 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?
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 has a molecular weight of 2740.28 g/mol, XLogP of 26.93, 40 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163556470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).