N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

C211H217ClF10N58O13 — CID 159744413

IUPACN-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=C(C)c1c(Cc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.C=C(C)c1c(Cc2nc(-c3ccc(C(=O)NCC)cc3)nn2C)ccc2[nH]ncc12.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1Cl.CCNC(=O)N1CCC(c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(C)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3F)n(C)n2)ccc1C(=O)NC(C)(C)C.Cn1ccc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(C(=O)NC3(C#N)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C26H27F3N6O2.C25H24N8O.C25H23N7O.C23H21F3N6O.C23H25FN6O2.C23H24N6O.C22H23ClN6O2.C22H21F3N6O2.C22H29N7O/c1-15-11-18(5-7-19(15)25(36)30-14-26(27,28)29)24-32-22(35(34-24)9-10-37-2)12-17-6-8-21-20(13-31-33-21)23(17)16-3-4-16;1-32-12-11-21(30-32)27-25(34)17-7-5-16(6-8-17)24-28-22(33(2)31-24)13-18-9-10-20-19(14-26-29-20)23(18)15-3-4-15;1-32-21(12-18-8-9-20-19(13-27-30-20)22(18)15-2-3-15)28-23(31-32)16-4-6-17(7-5-16)24(33)29-25(14-26)10-11-25;1-13(2)20-16(8-9-18-17(20)11-28-30-18)10-19-29-21(31-32(19)3)14-4-6-15(7-5-14)22(33)27-12-23(24,25)26;1-23(2,3)27-22(31)15-8-6-14(10-18(15)32-5)21-26-19(30(4)29-21)11-13-7-9-17-16(20(13)24)12-25-28-17;1-5-24-23(30)16-8-6-15(7-9-16)22-26-20(29(4)28-22)12-17-10-11-19-18(13-25-27-19)21(17)14(2)3;1-13(2)25-21(30)12-31-19-7-5-15(10-17(19)23)22-26-20(29(3)28-22)9-14-4-6-18-16(8-14)11-24-27-18;1-12-6-17-15(10-27-29-17)7-14(12)9-19-28-20(30-31(19)2)13-4-5-16(18(8-13)33-3)21(32)26-11-22(23,24)25;1-3-23-22(30)29-10-8-15(9-11-29)21-25-19(28(2)27-21)12-16-6-7-18-17(13-24-26-18)20(16)14-4-5-14/h5-8,11,13,16H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33);5-12,14-15H,3-4,13H2,1-2H3,(H,26,29)(H,27,30,34);4-9,13,15H,2-3,10-12H2,1H3,(H,27,30)(H,29,33);4-9,11H,1,10,12H2,2-3H3,(H,27,33)(H,28,30);6-10,12H,11H2,1-5H3,(H,25,28)(H,27,31);6-11,13H,2,5,12H2,1,3-4H3,(H,24,30)(H,25,27);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30);4-8,10H,9,11H2,1-3H3,(H,26,32)(H,27,29);6-7,13-15H,3-5,8-12H2,1-2H3,(H,23,30)(H,24,26)
InChIKeyNCWACIXTXURXJA-UHFFFAOYSA-N
MW3998.88 g/mol
LogP33.73
Rot. Bonds56

About N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide

N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 159744413) has the molecular formula C211H217ClF10N58O13 and a molecular weight of 3998.88 g/mol. Its IUPAC name is N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID159744413
Molecular FormulaC211H217ClF10N58O13
Molecular Weight3998.88 g/mol
Exact Mass3995.76
IUPAC NameN-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=C(C)c1c(Cc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.C=C(C)c1c(Cc2nc(-c3ccc(C(=O)NCC)cc3)nn2C)ccc2[nH]ncc12.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1Cl.CCNC(=O)N1CCC(c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(C)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3F)n(C)n2)ccc1C(=O)NC(C)(C)C.Cn1ccc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(C(=O)NC3(C#N)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C26H27F3N6O2.C25H24N8O.C25H23N7O.C23H21F3N6O.C23H25FN6O2.C23H24N6O.C22H23ClN6O2.C22H21F3N6O2.C22H29N7O/c1-15-11-18(5-7-19(15)25(36)30-14-26(27,28)29)24-32-22(35(34-24)9-10-37-2)12-17-6-8-21-20(13-31-33-21)23(17)16-3-4-16;1-32-12-11-21(30-32)27-25(34)17-7-5-16(6-8-17)24-28-22(33(2)31-24)13-18-9-10-20-19(14-26-29-20)23(18)15-3-4-15;1-32-21(12-18-8-9-20-19(13-27-30-20)22(18)15-2-3-15)28-23(31-32)16-4-6-17(7-5-16)24(33)29-25(14-26)10-11-25;1-13(2)20-16(8-9-18-17(20)11-28-30-18)10-19-29-21(31-32(19)3)14-4-6-15(7-5-14)22(33)27-12-23(24,25)26;1-23(2,3)27-22(31)15-8-6-14(10-18(15)32-5)21-26-19(30(4)29-21)11-13-7-9-17-16(20(13)24)12-25-28-17;1-5-24-23(30)16-8-6-15(7-9-16)22-26-20(29(4)28-22)12-17-10-11-19-18(13-25-27-19)21(17)14(2)3;1-13(2)25-21(30)12-31-19-7-5-15(10-17(19)23)22-26-20(29(3)28-22)9-14-4-6-18-16(8-14)11-24-27-18;1-12-6-17-15(10-27-29-17)7-14(12)9-19-28-20(30-31(19)2)13-4-5-16(18(8-13)33-3)21(32)26-11-22(23,24)25;1-3-23-22(30)29-10-8-15(9-11-29)21-25-19(28(2)27-21)12-16-6-7-18-17(13-24-26-18)20(16)14-4-5-14/h5-8,11,13,16H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33);5-12,14-15H,3-4,13H2,1-2H3,(H,26,29)(H,27,30,34);4-9,13,15H,2-3,10-12H2,1H3,(H,27,30)(H,29,33);4-9,11H,1,10,12H2,2-3H3,(H,27,33)(H,28,30);6-10,12H,11H2,1-5H3,(H,25,28)(H,27,31);6-11,13H,2,5,12H2,1,3-4H3,(H,24,30)(H,25,27);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30);4-8,10H,9,11H2,1-3H3,(H,26,32)(H,27,29);6-7,13-15H,3-5,8-12H2,1-2H3,(H,23,30)(H,24,26)
InChIKeyNCWACIXTXURXJA-UHFFFAOYSA-N
XLogP33.73
TPSA878.18 Ų
H-Bond Donors18
H-Bond Acceptors52
Rotatable Bonds56
Heavy Atoms293
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003998.88
LogP ≤ 533.73
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1052

Analyze N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 159744413) is N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is C=C(C)c1c(Cc2nc(-c3ccc(C(=O)NCC(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.C=C(C)c1c(Cc2nc(-c3ccc(C(=O)NCC)cc3)nn2C)ccc2[nH]ncc12.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1Cl.CCNC(=O)N1CCC(c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.COCCn1nc(-c2ccc(C(=O)NCC(F)(F)F)c(C)c2)nc1Cc1ccc2[nH]ncc2c1C1CC1.COc1cc(-c2nc(Cc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NCC(F)(F)F.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3F)n(C)n2)ccc1C(=O)NC(C)(C)C.Cn1ccc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(C(=O)NC3(C#N)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NCWACIXTXURXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O2.C25H24N8O.C25H23N7O.C23H21F3N6O.C23H25FN6O2.C23H24N6O.C22H23ClN6O2.C22H21F3N6O2.C22H29N7O/c1-15-11-18(5-7-19(15)25(36)30-14-26(27,28)29)24-32-22(35(34-24)9-10-37-2)12-17-6-8-21-20(13-31-33-21)23(17)16-3-4-16;1-32-12-11-21(30-32)27-25(34)17-7-5-16(6-8-17)24-28-22(33(2)31-24)13-18-9-10-20-19(14-26-29-20)23(18)15-3-4-15;1-32-21(12-18-8-9-20-19(13-27-30-20)22(18)15-2-3-15)28-23(31-32)16-4-6-17(7-5-16)24(33)29-25(14-26)10-11-25;1-13(2)20-16(8-9-18-17(20)11-28-30-18)10-19-29-21(31-32(19)3)14-4-6-15(7-5-14)22(33)27-12-23(24,25)26;1-23(2,3)27-22(31)15-8-6-14(10-18(15)32-5)21-26-19(30(4)29-21)11-13-7-9-17-16(20(13)24)12-25-28-17;1-5-24-23(30)16-8-6-15(7-9-16)22-26-20(29(4)28-22)12-17-10-11-19-18(13-25-27-19)21(17)14(2)3;1-13(2)25-21(30)12-31-19-7-5-15(10-17(19)23)22-26-20(29(3)28-22)9-14-4-6-18-16(8-14)11-24-27-18;1-12-6-17-15(10-27-29-17)7-14(12)9-19-28-20(30-31(19)2)13-4-5-16(18(8-13)33-3)21(32)26-11-22(23,24)25;1-3-23-22(30)29-10-8-15(9-11-29)21-25-19(28(2)27-21)12-16-6-7-18-17(13-24-26-18)20(16)14-4-5-14/h5-8,11,13,16H,3-4,9-10,12,14H2,1-2H3,(H,30,36)(H,31,33);5-12,14-15H,3-4,13H2,1-2H3,(H,26,29)(H,27,30,34);4-9,13,15H,2-3,10-12H2,1H3,(H,27,30)(H,29,33);4-9,11H,1,10,12H2,2-3H3,(H,27,33)(H,28,30);6-10,12H,11H2,1-5H3,(H,25,28)(H,27,31);6-11,13H,2,5,12H2,1,3-4H3,(H,24,30)(H,25,27);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30);4-8,10H,9,11H2,1-3H3,(H,26,32)(H,27,29);6-7,13-15H,3-5,8-12H2,1-2H3,(H,23,30)(H,24,26).
What are the key properties of N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide?
N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3998.88 g/mol, XLogP of 33.73, 56 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[5-[(4-fluoro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;N-(1-cyanocyclopropyl)-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-3-yl)benzamide;N-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide;2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 159744413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).