N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate

C195H204F5N49O11 — CID 167552038

IUPACN-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate
SMILESCC(C)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.COC(=O)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(CO)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)N)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C25H29N7O.C25H26N6O2.C25H26N6O.C25H28N6O.C24H23F3N6O.C24H24N6O3.C24H26N6O.C23H22F2N6O/c1-25(2,26)14-27-24(33)17-8-6-16(7-9-17)23-29-21(32(3)31-23)12-18-10-11-20-19(13-28-30-20)22(18)15-4-5-15;1-31-21(12-18-8-9-20-19(13-26-29-20)22(18)15-2-3-15)27-23(30-31)16-4-6-17(7-5-16)24(33)28-25(14-32)10-11-25;1-25(11-12-25)28-24(32)17-7-5-16(6-8-17)23-27-21(31(2)30-23)13-18-9-10-20-19(14-26-29-20)22(18)15-3-4-15;1-15(2)13-26-25(32)18-8-6-17(7-9-18)24-28-22(31(3)30-24)12-19-10-11-21-20(14-27-29-21)23(19)16-4-5-16;1-13(24(25,26)27)29-23(34)16-7-5-15(6-8-16)22-30-20(33(2)32-22)11-17-9-10-19-18(12-28-31-19)21(17)14-3-4-14;1-30-20(11-17-9-10-19-18(12-26-28-19)22(17)14-3-4-14)27-23(29-30)15-5-7-16(8-6-15)24(32)25-13-21(31)33-2;1-14(2)26-24(31)17-8-6-16(7-9-17)23-27-21(30(3)29-23)12-18-10-11-20-19(13-25-28-20)22(18)15-4-5-15;1-31-20(10-16-8-9-18-17(11-27-29-18)21(16)13-2-3-13)28-22(30-31)14-4-6-15(7-5-14)23(32)26-12-19(24)25/h6-11,13,15H,4-5,12,14,26H2,1-3H3,(H,27,33)(H,28,30);4-9,13,15,32H,2-3,10-12,14H2,1H3,(H,26,29)(H,28,33);5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,29)(H,28,32);6-11,14-16H,4-5,12-13H2,1-3H3,(H,26,32)(H,27,29);5-10,12-14H,3-4,11H2,1-2H3,(H,28,31)(H,29,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,32)(H,26,28);6-11,13-15H,4-5,12H2,1-3H3,(H,25,28)(H,26,31);4-9,11,13,19H,2-3,10,12H2,1H3,(H,26,32)(H,27,29)
InChIKeyCNOMNFXEMRJKNY-UHFFFAOYSA-N
MW3505.10 g/mol
LogP29.72
Rot. Bonds53

About N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate

N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate (PubChem CID 167552038) has the molecular formula C195H204F5N49O11 and a molecular weight of 3505.10 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate
PubChem CID167552038
Molecular FormulaC195H204F5N49O11
Molecular Weight3505.10 g/mol
Exact Mass3502.68
IUPAC NameN-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate
SMILESCC(C)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.COC(=O)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(CO)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)N)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C25H29N7O.C25H26N6O2.C25H26N6O.C25H28N6O.C24H23F3N6O.C24H24N6O3.C24H26N6O.C23H22F2N6O/c1-25(2,26)14-27-24(33)17-8-6-16(7-9-17)23-29-21(32(3)31-23)12-18-10-11-20-19(13-28-30-20)22(18)15-4-5-15;1-31-21(12-18-8-9-20-19(13-26-29-20)22(18)15-2-3-15)27-23(30-31)16-4-6-17(7-5-16)24(33)28-25(14-32)10-11-25;1-25(11-12-25)28-24(32)17-7-5-16(6-8-17)23-27-21(31(2)30-23)13-18-9-10-20-19(14-26-29-20)22(18)15-3-4-15;1-15(2)13-26-25(32)18-8-6-17(7-9-18)24-28-22(31(3)30-24)12-19-10-11-21-20(14-27-29-21)23(19)16-4-5-16;1-13(24(25,26)27)29-23(34)16-7-5-15(6-8-16)22-30-20(33(2)32-22)11-17-9-10-19-18(12-28-31-19)21(17)14-3-4-14;1-30-20(11-17-9-10-19-18(12-26-28-19)22(17)14-3-4-14)27-23(29-30)15-5-7-16(8-6-15)24(32)25-13-21(31)33-2;1-14(2)26-24(31)17-8-6-16(7-9-17)23-27-21(30(3)29-23)12-18-10-11-20-19(13-25-28-20)22(18)15-4-5-15;1-31-20(10-16-8-9-18-17(11-27-29-18)21(16)13-2-3-13)28-22(30-31)14-4-6-15(7-5-14)23(32)26-12-19(24)25/h6-11,13,15H,4-5,12,14,26H2,1-3H3,(H,27,33)(H,28,30);4-9,13,15,32H,2-3,10-12,14H2,1H3,(H,26,29)(H,28,33);5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,29)(H,28,32);6-11,14-16H,4-5,12-13H2,1-3H3,(H,26,32)(H,27,29);5-10,12-14H,3-4,11H2,1-2H3,(H,28,31)(H,29,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,32)(H,26,28);6-11,13-15H,4-5,12H2,1-3H3,(H,25,28)(H,26,31);4-9,11,13,19H,2-3,10,12H2,1H3,(H,26,32)(H,27,29)
InChIKeyCNOMNFXEMRJKNY-UHFFFAOYSA-N
XLogP29.72
TPSA780.47 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds53
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003505.10
LogP ≤ 529.72
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Analyze N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate?
The IUPAC name of N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate (CID 167552038) is N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate?
The canonical SMILES for N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate is CC(C)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(C)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CC(NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1)C(F)(F)F.COC(=O)CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(CO)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(C)(C)N)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NCC(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate?
The InChIKey is CNOMNFXEMRJKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O.C25H26N6O2.C25H26N6O.C25H28N6O.C24H23F3N6O.C24H24N6O3.C24H26N6O.C23H22F2N6O/c1-25(2,26)14-27-24(33)17-8-6-16(7-9-17)23-29-21(32(3)31-23)12-18-10-11-20-19(13-28-30-20)22(18)15-4-5-15;1-31-21(12-18-8-9-20-19(13-26-29-20)22(18)15-2-3-15)27-23(30-31)16-4-6-17(7-5-16)24(33)28-25(14-32)10-11-25;1-25(11-12-25)28-24(32)17-7-5-16(6-8-17)23-27-21(31(2)30-23)13-18-9-10-20-19(14-26-29-20)22(18)15-3-4-15;1-15(2)13-26-25(32)18-8-6-17(7-9-18)24-28-22(31(3)30-24)12-19-10-11-21-20(14-27-29-21)23(19)16-4-5-16;1-13(24(25,26)27)29-23(34)16-7-5-15(6-8-16)22-30-20(33(2)32-22)11-17-9-10-19-18(12-28-31-19)21(17)14-3-4-14;1-30-20(11-17-9-10-19-18(12-26-28-19)22(17)14-3-4-14)27-23(29-30)15-5-7-16(8-6-15)24(32)25-13-21(31)33-2;1-14(2)26-24(31)17-8-6-16(7-9-17)23-27-21(30(3)29-23)12-18-10-11-20-19(13-25-28-20)22(18)15-4-5-15;1-31-20(10-16-8-9-18-17(11-27-29-18)21(16)13-2-3-13)28-22(30-31)14-4-6-15(7-5-14)23(32)26-12-19(24)25/h6-11,13,15H,4-5,12,14,26H2,1-3H3,(H,27,33)(H,28,30);4-9,13,15,32H,2-3,10-12,14H2,1H3,(H,26,29)(H,28,33);5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,29)(H,28,32);6-11,14-16H,4-5,12-13H2,1-3H3,(H,26,32)(H,27,29);5-10,12-14H,3-4,11H2,1-2H3,(H,28,31)(H,29,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,32)(H,26,28);6-11,13-15H,4-5,12H2,1-3H3,(H,25,28)(H,26,31);4-9,11,13,19H,2-3,10,12H2,1H3,(H,26,32)(H,27,29).
What are the key properties of N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate?
N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate has a molecular weight of 3505.10 g/mol, XLogP of 29.72, 53 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-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-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide;methyl 2-[[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzoyl]amino]acetate is sourced from PubChem (CID 167552038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).