N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide

C181H212F9N35O15 — CID 162005180

IUPACN-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide
SMILESCCCc1cc(C(F)(F)F)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)c1OC.CCN(C)Cc1cc(C(F)(F)F)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)c1OC.COc1c(CCC(C)(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1c(CCCC(C)(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1c(CN(C)CC(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(CCC5CC5)c4OC)ccc3C)nn2)c1
InChIInChI=1S/C33H44N6O2.C32H43N7O2.C32H42N6O2.C29H28F3N5O3.C28H29F3N6O3.C27H26F3N5O3/c1-21-13-14-24(17-29(21)39-20-28(36-37-39)26-19-34-38(9)22(26)2)31(40)35-25-16-23(12-11-15-32(3,4)5)30(41-10)27(18-25)33(6,7)8;1-20(2)17-37(8)18-24-13-25(15-27(30(24)41-10)32(5,6)7)34-31(40)23-12-11-21(3)29(14-23)39-19-28(35-36-39)26-16-33-38(9)22(26)4;1-20-11-12-23(16-28(20)38-19-27(35-36-38)25-18-33-37(9)21(25)2)30(39)34-24-15-22(13-14-31(3,4)5)29(40-10)26(17-24)32(6,7)8;1-17-4-8-20(12-26(17)37-16-25(35-36-37)21-11-23(39-2)15-33-14-21)28(38)34-24-13-22(29(30,31)32)10-19(27(24)40-3)9-7-18-5-6-18;1-6-36(3)15-20-9-21(28(29,30)31)12-23(26(20)40-5)33-27(38)18-8-7-17(2)25(11-18)37-16-24(34-35-37)19-10-22(39-4)14-32-13-19;1-5-6-17-9-20(27(28,29)30)12-22(25(17)38-4)32-26(36)18-8-7-16(2)24(11-18)35-15-23(33-34-35)19-10-21(37-3)14-31-13-19/h13-14,16-20H,11-12,15H2,1-10H3,(H,35,40);11-16,19-20H,17-18H2,1-10H3,(H,34,40);11-12,15-19H,13-14H2,1-10H3,(H,34,39);4,8,10-16,18H,5-7,9H2,1-3H3,(H,34,38);7-14,16H,6,15H2,1-5H3,(H,33,38);7-15H,5-6H2,1-4H3,(H,32,36)
InChIKeyYSSUKEPVQWKOTJ-UHFFFAOYSA-N
MW3288.90 g/mol
LogP37.49
Rot. Bonds50

About N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide

N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide (PubChem CID 162005180) has the molecular formula C181H212F9N35O15 and a molecular weight of 3288.90 g/mol. Its IUPAC name is N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide
PubChem CID162005180
Molecular FormulaC181H212F9N35O15
Molecular Weight3288.90 g/mol
Exact Mass3286.68
IUPAC NameN-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide
SMILESCCCc1cc(C(F)(F)F)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)c1OC.CCN(C)Cc1cc(C(F)(F)F)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)c1OC.COc1c(CCC(C)(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1c(CCCC(C)(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1c(CN(C)CC(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(CCC5CC5)c4OC)ccc3C)nn2)c1
InChIInChI=1S/C33H44N6O2.C32H43N7O2.C32H42N6O2.C29H28F3N5O3.C28H29F3N6O3.C27H26F3N5O3/c1-21-13-14-24(17-29(21)39-20-28(36-37-39)26-19-34-38(9)22(26)2)31(40)35-25-16-23(12-11-15-32(3,4)5)30(41-10)27(18-25)33(6,7)8;1-20(2)17-37(8)18-24-13-25(15-27(30(24)41-10)32(5,6)7)34-31(40)23-12-11-21(3)29(14-23)39-19-28(35-36-39)26-16-33-38(9)22(26)4;1-20-11-12-23(16-28(20)38-19-27(35-36-38)25-18-33-37(9)21(25)2)30(39)34-24-15-22(13-14-31(3,4)5)29(40-10)26(17-24)32(6,7)8;1-17-4-8-20(12-26(17)37-16-25(35-36-37)21-11-23(39-2)15-33-14-21)28(38)34-24-13-22(29(30,31)32)10-19(27(24)40-3)9-7-18-5-6-18;1-6-36(3)15-20-9-21(28(29,30)31)12-23(26(20)40-5)33-27(38)18-8-7-17(2)25(11-18)37-16-24(34-35-37)19-10-22(39-4)14-32-13-19;1-5-6-17-9-20(27(28,29)30)12-22(25(17)38-4)32-26(36)18-8-7-16(2)24(11-18)35-15-23(33-34-35)19-10-21(37-3)14-31-13-19/h13-14,16-20H,11-12,15H2,1-10H3,(H,35,40);11-16,19-20H,17-18H2,1-10H3,(H,34,40);11-12,15-19H,13-14H2,1-10H3,(H,34,39);4,8,10-16,18H,5-7,9H2,1-3H3,(H,34,38);7-14,16H,6,15H2,1-5H3,(H,33,38);7-15H,5-6H2,1-4H3,(H,32,36)
InChIKeyYSSUKEPVQWKOTJ-UHFFFAOYSA-N
XLogP37.49
TPSA540.54 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds50
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003288.90
LogP ≤ 537.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Analyze N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide?
The IUPAC name of N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide (CID 162005180) is N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide.
What is the SMILES notation for N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide?
The canonical SMILES for N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide is CCCc1cc(C(F)(F)F)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)c1OC.CCN(C)Cc1cc(C(F)(F)F)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cncc(OC)c4)nn3)c2)c1OC.COc1c(CCC(C)(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1c(CCCC(C)(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1c(CN(C)CC(C)C)cc(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc1C(C)(C)C.COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(CCC5CC5)c4OC)ccc3C)nn2)c1.
What is the InChIKey of N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide?
The InChIKey is YSSUKEPVQWKOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O2.C32H43N7O2.C32H42N6O2.C29H28F3N5O3.C28H29F3N6O3.C27H26F3N5O3/c1-21-13-14-24(17-29(21)39-20-28(36-37-39)26-19-34-38(9)22(26)2)31(40)35-25-16-23(12-11-15-32(3,4)5)30(41-10)27(18-25)33(6,7)8;1-20(2)17-37(8)18-24-13-25(15-27(30(24)41-10)32(5,6)7)34-31(40)23-12-11-21(3)29(14-23)39-19-28(35-36-39)26-16-33-38(9)22(26)4;1-20-11-12-23(16-28(20)38-19-27(35-36-38)25-18-33-37(9)21(25)2)30(39)34-24-15-22(13-14-31(3,4)5)29(40-10)26(17-24)32(6,7)8;1-17-4-8-20(12-26(17)37-16-25(35-36-37)21-11-23(39-2)15-33-14-21)28(38)34-24-13-22(29(30,31)32)10-19(27(24)40-3)9-7-18-5-6-18;1-6-36(3)15-20-9-21(28(29,30)31)12-23(26(20)40-5)33-27(38)18-8-7-17(2)25(11-18)37-16-24(34-35-37)19-10-22(39-4)14-32-13-19;1-5-6-17-9-20(27(28,29)30)12-22(25(17)38-4)32-26(36)18-8-7-16(2)24(11-18)35-15-23(33-34-35)19-10-21(37-3)14-31-13-19/h13-14,16-20H,11-12,15H2,1-10H3,(H,35,40);11-16,19-20H,17-18H2,1-10H3,(H,34,40);11-12,15-19H,13-14H2,1-10H3,(H,34,39);4,8,10-16,18H,5-7,9H2,1-3H3,(H,34,38);7-14,16H,6,15H2,1-5H3,(H,33,38);7-15H,5-6H2,1-4H3,(H,32,36).
What are the key properties of N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide?
N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide has a molecular weight of 3288.90 g/mol, XLogP of 37.49, 50 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-5-(3,3-dimethylbutyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-5-(4,4-dimethylpentyl)-4-methoxyphenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-tert-butyl-4-methoxy-5-[[methyl(2-methylpropyl)amino]methyl]phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(2-cyclopropylethyl)-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[3-[[ethyl(methyl)amino]methyl]-2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide;N-[2-methoxy-3-propyl-5-(trifluoromethyl)phenyl]-3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methylbenzamide is sourced from PubChem (CID 162005180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).