N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide

C132H133Cl5F15N35O11 — CID 159729092

IUPACN-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCCN(C)Cc1cc(C(F)(F)F)cc(NC(=O)c2ccc(Cl)c(-n3cc(-c4cnn(C)c4C)nn3)c2)c1OC.COc1c(CN(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCC(O)CC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1
InChIInChI=1S/C28H29ClF3N7O3.C27H27ClF3N7O2.C26H25ClF3N7O2.C26H27ClF3N7O2.C25H25ClF3N7O2/c1-16-21(13-33-37(16)2)24-15-39(36-35-24)25-11-17(4-5-22(25)29)27(41)34-23-12-19(28(30,31)32)10-18(26(23)42-3)14-38-8-6-20(40)7-9-38;1-16-20(13-32-36(16)2)23-15-38(35-34-23)24-11-17(6-7-21(24)28)26(39)33-22-12-19(27(29,30)31)10-18(25(22)40-3)14-37-8-4-5-9-37;1-15-19(12-31-35(15)2)22-14-37(34-33-22)23-10-16(5-6-20(23)27)25(38)32-21-11-18(26(28,29)30)9-17(24(21)39-3)13-36-7-4-8-36;1-6-35(3)13-17-9-18(26(28,29)30)11-21(24(17)39-5)32-25(38)16-7-8-20(27)23(10-16)37-14-22(33-34-37)19-12-31-36(4)15(19)2;1-14-18(11-30-35(14)4)21-13-36(33-32-21)22-9-15(6-7-19(22)26)24(37)31-20-10-17(25(27,28)29)8-16(12-34(2)3)23(20)38-5/h4-5,10-13,15,20,40H,6-9,14H2,1-3H3,(H,34,41);6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,33,39);5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,32,38);7-12,14H,6,13H2,1-5H3,(H,32,38);6-11,13H,12H2,1-5H3,(H,31,37)
InChIKeyNAZWORWWWRJPIG-UHFFFAOYSA-N
MW2847.98 g/mol
LogP25.82
Rot. Bonds36

About N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide

N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 159729092) has the molecular formula C132H133Cl5F15N35O11 and a molecular weight of 2847.98 g/mol. Its IUPAC name is N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID159729092
Molecular FormulaC132H133Cl5F15N35O11
Molecular Weight2847.98 g/mol
Exact Mass2843.91
IUPAC NameN-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCCN(C)Cc1cc(C(F)(F)F)cc(NC(=O)c2ccc(Cl)c(-n3cc(-c4cnn(C)c4C)nn3)c2)c1OC.COc1c(CN(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCC(O)CC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1
InChIInChI=1S/C28H29ClF3N7O3.C27H27ClF3N7O2.C26H25ClF3N7O2.C26H27ClF3N7O2.C25H25ClF3N7O2/c1-16-21(13-33-37(16)2)24-15-39(36-35-24)25-11-17(4-5-22(25)29)27(41)34-23-12-19(28(30,31)32)10-18(26(23)42-3)14-38-8-6-20(40)7-9-38;1-16-20(13-32-36(16)2)23-15-38(35-34-23)24-11-17(6-7-21(24)28)26(39)33-22-12-19(27(29,30)31)10-18(25(22)40-3)14-37-8-4-5-9-37;1-15-19(12-31-35(15)2)22-14-37(34-33-22)23-10-16(5-6-20(23)27)25(38)32-21-11-18(26(28,29)30)9-17(24(21)39-3)13-36-7-4-8-36;1-6-35(3)13-17-9-18(26(28,29)30)11-21(24(17)39-5)32-25(38)16-7-8-20(27)23(10-16)37-14-22(33-34-37)19-12-31-36(4)15(19)2;1-14-18(11-30-35(14)4)21-13-36(33-32-21)22-9-15(6-7-19(22)26)24(37)31-20-10-17(25(27,28)29)8-16(12-34(2)3)23(20)38-5/h4-5,10-13,15,20,40H,6-9,14H2,1-3H3,(H,34,41);6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,33,39);5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,32,38);7-12,14H,6,13H2,1-5H3,(H,32,38);6-11,13H,12H2,1-5H3,(H,31,37)
InChIKeyNAZWORWWWRJPIG-UHFFFAOYSA-N
XLogP25.82
TPSA470.73 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.98
LogP ≤ 525.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Analyze N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-formamidoethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 25169765
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 25169766
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 25169767
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 25169768
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 58366320
N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide
CID 58366344
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 58366371
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 58366466
4-chloro-N-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide
CID 58366496
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(3-hydroxyazetidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 58366619
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]benzamide
CID 58366742
4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-[(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 58366778

Frequently Asked Questions

What is the IUPAC name of N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (CID 159729092) is N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is CCN(C)Cc1cc(C(F)(F)F)cc(NC(=O)c2ccc(Cl)c(-n3cc(-c4cnn(C)c4C)nn3)c2)c1OC.COc1c(CN(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCC(O)CC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.COc1c(CN2CCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1.
What is the InChIKey of N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NAZWORWWWRJPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF3N7O3.C27H27ClF3N7O2.C26H25ClF3N7O2.C26H27ClF3N7O2.C25H25ClF3N7O2/c1-16-21(13-33-37(16)2)24-15-39(36-35-24)25-11-17(4-5-22(25)29)27(41)34-23-12-19(28(30,31)32)10-18(26(23)42-3)14-38-8-6-20(40)7-9-38;1-16-20(13-32-36(16)2)23-15-38(35-34-23)24-11-17(6-7-21(24)28)26(39)33-22-12-19(27(29,30)31)10-18(25(22)40-3)14-37-8-4-5-9-37;1-15-19(12-31-35(15)2)22-14-37(34-33-22)23-10-16(5-6-20(23)27)25(38)32-21-11-18(26(28,29)30)9-17(24(21)39-3)13-36-7-4-8-36;1-6-35(3)13-17-9-18(26(28,29)30)11-21(24(17)39-5)32-25(38)16-7-8-20(27)23(10-16)37-14-22(33-34-37)19-12-31-36(4)15(19)2;1-14-18(11-30-35(14)4)21-13-36(33-32-21)22-9-15(6-7-19(22)26)24(37)31-20-10-17(25(27,28)29)8-16(12-34(2)3)23(20)38-5/h4-5,10-13,15,20,40H,6-9,14H2,1-3H3,(H,34,41);6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,33,39);5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,32,38);7-12,14H,6,13H2,1-5H3,(H,32,38);6-11,13H,12H2,1-5H3,(H,31,37).
What are the key properties of N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 2847.98 g/mol, XLogP of 25.82, 36 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azetidin-1-ylmethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-N-[3-[(dimethylamino)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-hydroxypiperidin-1-yl)methyl]-2-methoxy-5-(trifluoromethyl)phenyl]benzamide;4-chloro-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 159729092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).