4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C188H201F8N49O13 — CID 158889249

IUPAC4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CC1NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3CC)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3CC)n(C)n2)cc1OC.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC4CN(C)C4)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(F)F)cc3)nn2C)ccc2[nH]ncc12.Cn1nc(-c2ccc(C(=O)NC(CO)C(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C25H29N7O2.C25H26N6O.C24H23F3N6O2.C24H28N6O2.C23H23F3N6O2.C23H26N6O2.C22H22F2N6O.C22H24N6O/c1-5-18-15(7-9-21-20(18)12-26-29-21)11-23-28-24(30-32(23)3)16-6-8-19(22(10-16)34-4)25(33)27-17-13-31(2)14-17;1-14-11-21(14)27-25(32)17-7-5-16(6-8-17)24-28-22(31(2)30-24)12-18-9-10-20-19(13-26-29-20)23(18)15-3-4-15;1-33-20(10-16-8-9-18-17(11-28-31-18)21(16)13-2-3-13)30-22(32-33)14-4-6-15(7-5-14)23(35)29-19(12-34)24(25,26)27;1-6-17-15(8-10-20-19(17)13-25-28-20)12-22-27-23(29-30(22)4)16-7-9-18(21(11-16)32-5)24(31)26-14(2)3;1-4-15-13(6-8-18-17(15)11-28-30-18)10-20-29-21(31-32(20)2)14-5-7-16(19(9-14)34-3)22(33)27-12-23(24,25)26;1-5-16-14(8-10-19-18(16)13-25-27-19)12-21-26-22(28-29(21)3)15-7-9-17(20(11-15)31-4)23(30)24-6-2;1-3-16-15(8-9-18-17(16)11-26-28-18)10-20-27-21(29-30(20)2)13-4-6-14(7-5-13)22(31)25-12-19(23)24;1-4-17-16(10-11-19-18(17)13-24-26-19)12-20-25-21(27-28(20)3)14-6-8-15(9-7-14)22(29)23-5-2/h6-10,12,17H,5,11,13-14H2,1-4H3,(H,26,29)(H,27,33);5-10,13-15,21H,3-4,11-12H2,1-2H3,(H,26,29)(H,27,32);4-9,11,13,19,34H,2-3,10,12H2,1H3,(H,28,31)(H,29,35);7-11,13-14H,6,12H2,1-5H3,(H,25,28)(H,26,31);5-9,11H,4,10,12H2,1-3H3,(H,27,33)(H,28,30);7-11,13H,5-6,12H2,1-4H3,(H,24,30)(H,25,27);4-9,11,19H,3,10,12H2,1-2H3,(H,25,31)(H,26,28);6-11,13H,4-5,12H2,1-3H3,(H,23,29)(H,24,26)
InChIKeyJEABKVGJMSDVCI-UHFFFAOYSA-N
MW3506.99 g/mol
LogP27.52
Rot. Bonds54

About 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 158889249) has the molecular formula C188H201F8N49O13 and a molecular weight of 3506.99 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID158889249
Molecular FormulaC188H201F8N49O13
Molecular Weight3506.99 g/mol
Exact Mass3504.64
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1CC1NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3CC)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3CC)n(C)n2)cc1OC.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC4CN(C)C4)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(F)F)cc3)nn2C)ccc2[nH]ncc12.Cn1nc(-c2ccc(C(=O)NC(CO)C(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C25H29N7O2.C25H26N6O.C24H23F3N6O2.C24H28N6O2.C23H23F3N6O2.C23H26N6O2.C22H22F2N6O.C22H24N6O/c1-5-18-15(7-9-21-20(18)12-26-29-21)11-23-28-24(30-32(23)3)16-6-8-19(22(10-16)34-4)25(33)27-17-13-31(2)14-17;1-14-11-21(14)27-25(32)17-7-5-16(6-8-17)24-28-22(31(2)30-24)12-18-9-10-20-19(13-26-29-20)23(18)15-3-4-15;1-33-20(10-16-8-9-18-17(11-28-31-18)21(16)13-2-3-13)30-22(32-33)14-4-6-15(7-5-14)23(35)29-19(12-34)24(25,26)27;1-6-17-15(8-10-20-19(17)13-25-28-20)12-22-27-23(29-30(22)4)16-7-9-18(21(11-16)32-5)24(31)26-14(2)3;1-4-15-13(6-8-18-17(15)11-28-30-18)10-20-29-21(31-32(20)2)14-5-7-16(19(9-14)34-3)22(33)27-12-23(24,25)26;1-5-16-14(8-10-19-18(16)13-25-27-19)12-21-26-22(28-29(21)3)15-7-9-17(20(11-15)31-4)23(30)24-6-2;1-3-16-15(8-9-18-17(16)11-26-28-18)10-20-27-21(29-30(20)2)13-4-6-14(7-5-13)22(31)25-12-19(23)24;1-4-17-16(10-11-19-18(17)13-24-26-19)12-20-25-21(27-28(20)3)14-6-8-15(9-7-14)22(29)23-5-2/h6-10,12,17H,5,11,13-14H2,1-4H3,(H,26,29)(H,27,33);5-10,13-15,21H,3-4,11-12H2,1-2H3,(H,26,29)(H,27,32);4-9,11,13,19,34H,2-3,10,12H2,1H3,(H,28,31)(H,29,35);7-11,13-14H,6,12H2,1-5H3,(H,25,28)(H,26,31);5-9,11H,4,10,12H2,1-3H3,(H,27,33)(H,28,30);7-11,13H,5-6,12H2,1-4H3,(H,24,30)(H,25,27);4-9,11,19H,3,10,12H2,1-2H3,(H,25,31)(H,26,28);6-11,13H,4-5,12H2,1-3H3,(H,23,29)(H,24,26)
InChIKeyJEABKVGJMSDVCI-UHFFFAOYSA-N
XLogP27.52
TPSA768.31 Ų
H-Bond Donors17
H-Bond Acceptors46
Rotatable Bonds54
Heavy Atoms258
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003506.99
LogP ≤ 527.52
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1046

Analyze 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 158889249) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide is CC1CC1NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3CC)n(C)n2)cc1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3CC)n(C)n2)cc1OC.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC4CN(C)C4)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(F)(F)F)c(OC)c3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(F)F)cc3)nn2C)ccc2[nH]ncc12.Cn1nc(-c2ccc(C(=O)NC(CO)C(F)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is JEABKVGJMSDVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2.C25H26N6O.C24H23F3N6O2.C24H28N6O2.C23H23F3N6O2.C23H26N6O2.C22H22F2N6O.C22H24N6O/c1-5-18-15(7-9-21-20(18)12-26-29-21)11-23-28-24(30-32(23)3)16-6-8-19(22(10-16)34-4)25(33)27-17-13-31(2)14-17;1-14-11-21(14)27-25(32)17-7-5-16(6-8-17)24-28-22(31(2)30-24)12-18-9-10-20-19(13-26-29-20)23(18)15-3-4-15;1-33-20(10-16-8-9-18-17(11-28-31-18)21(16)13-2-3-13)30-22(32-33)14-4-6-15(7-5-14)23(35)29-19(12-34)24(25,26)27;1-6-17-15(8-10-20-19(17)13-25-28-20)12-22-27-23(29-30(22)4)16-7-9-18(21(11-16)32-5)24(31)26-14(2)3;1-4-15-13(6-8-18-17(15)11-28-30-18)10-20-29-21(31-32(20)2)14-5-7-16(19(9-14)34-3)22(33)27-12-23(24,25)26;1-5-16-14(8-10-19-18(16)13-25-27-19)12-21-26-22(28-29(21)3)15-7-9-17(20(11-15)31-4)23(30)24-6-2;1-3-16-15(8-9-18-17(16)11-26-28-18)10-20-27-21(29-30(20)2)13-4-6-14(7-5-13)22(31)25-12-19(23)24;1-4-17-16(10-11-19-18(17)13-24-26-19)12-20-25-21(27-28(20)3)14-6-8-15(9-7-14)22(29)23-5-2/h6-10,12,17H,5,11,13-14H2,1-4H3,(H,26,29)(H,27,33);5-10,13-15,21H,3-4,11-12H2,1-2H3,(H,26,29)(H,27,32);4-9,11,13,19,34H,2-3,10,12H2,1H3,(H,28,31)(H,29,35);7-11,13-14H,6,12H2,1-5H3,(H,25,28)(H,26,31);5-9,11H,4,10,12H2,1-3H3,(H,27,33)(H,28,30);7-11,13H,5-6,12H2,1-4H3,(H,24,30)(H,25,27);4-9,11,19H,3,10,12H2,1-2H3,(H,25,31)(H,26,28);6-11,13H,4-5,12H2,1-3H3,(H,23,29)(H,24,26).
What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3506.99 g/mol, XLogP of 27.52, 54 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 158889249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).