4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C179H186F7N45O10 — CID 167634477

IUPAC4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCC(CO)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1cc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)cn1.Cn1nc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(C(F)(F)F)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(CO)CCCC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)N[C@H]3C[C@@H]3F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C27H30N6O2.C27H32N6O2.C26H26F3N7O.C25H23F3N6O.C25H24N8O.C25H28N6O2.C24H23FN6O/c1-33-23(14-20-10-11-22-21(15-28-31-22)24(20)17-4-5-17)29-25(32-33)18-6-8-19(9-7-18)26(35)30-27(16-34)12-2-3-13-27;1-16(2)12-21(15-34)29-27(35)19-8-6-18(7-9-19)26-30-24(33(3)32-26)13-20-10-11-23-22(14-28-31-23)25(20)17-4-5-17;1-35-22(12-18-8-9-20-19(13-31-33-20)23(18)15-2-3-15)32-24(34-35)16-4-6-17(7-5-16)25(37)36-11-10-30-21(14-36)26(27,28)29;1-34-20(12-17-8-9-19-18(13-29-32-19)21(17)14-2-3-14)30-22(33-34)15-4-6-16(7-5-15)23(35)31-24(10-11-24)25(26,27)28;1-32-14-19(12-27-32)28-25(34)17-7-5-16(6-8-17)24-29-22(33(2)31-24)11-18-9-10-21-20(13-26-30-21)23(18)15-3-4-15;1-3-19(14-32)27-25(33)17-8-6-16(7-9-17)24-28-22(31(2)30-24)12-18-10-11-21-20(13-26-29-21)23(18)15-4-5-15;1-31-21(10-16-8-9-19-17(12-26-29-19)22(16)13-2-3-13)28-23(30-31)14-4-6-15(7-5-14)24(32)27-20-11-18(20)25/h6-11,15,17,34H,2-5,12-14,16H2,1H3,(H,28,31)(H,30,35);6-11,14,16-17,21,34H,4-5,12-13,15H2,1-3H3,(H,28,31)(H,29,35);4-9,13,15,21,30H,2-3,10-12,14H2,1H3,(H,31,33);4-9,13-14H,2-3,10-12H2,1H3,(H,29,32)(H,31,35);5-10,12-15H,3-4,11H2,1-2H3,(H,26,30)(H,28,34);6-11,13,15,19,32H,3-5,12,14H2,1-2H3,(H,26,29)(H,27,33);4-9,12-13,18,20H,2-3,10-11H2,1H3,(H,26,29)(H,27,32)/t;21-;;;;;18-,20-/m.0....0/s1
InChIKeyOGUCMSPGRWGVMC-JITMCNMESA-N
MW3260.75 g/mol
LogP27.09
Rot. Bonds47

About 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 167634477) has the molecular formula C179H186F7N45O10 and a molecular weight of 3260.75 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID167634477
Molecular FormulaC179H186F7N45O10
Molecular Weight3260.75 g/mol
Exact Mass3258.53
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCC(CO)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1cc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)cn1.Cn1nc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(C(F)(F)F)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(CO)CCCC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)N[C@H]3C[C@@H]3F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C27H30N6O2.C27H32N6O2.C26H26F3N7O.C25H23F3N6O.C25H24N8O.C25H28N6O2.C24H23FN6O/c1-33-23(14-20-10-11-22-21(15-28-31-22)24(20)17-4-5-17)29-25(32-33)18-6-8-19(9-7-18)26(35)30-27(16-34)12-2-3-13-27;1-16(2)12-21(15-34)29-27(35)19-8-6-18(7-9-19)26-30-24(33(3)32-26)13-20-10-11-23-22(14-28-31-23)25(20)17-4-5-17;1-35-22(12-18-8-9-20-19(13-31-33-20)23(18)15-2-3-15)32-24(34-35)16-4-6-17(7-5-16)25(37)36-11-10-30-21(14-36)26(27,28)29;1-34-20(12-17-8-9-19-18(13-29-32-19)21(17)14-2-3-14)30-22(33-34)15-4-6-16(7-5-15)23(35)31-24(10-11-24)25(26,27)28;1-32-14-19(12-27-32)28-25(34)17-7-5-16(6-8-17)24-29-22(33(2)31-24)11-18-9-10-21-20(13-26-30-21)23(18)15-3-4-15;1-3-19(14-32)27-25(33)17-8-6-16(7-9-17)24-28-22(31(2)30-24)12-18-10-11-21-20(13-26-29-21)23(18)15-4-5-15;1-31-21(10-16-8-9-19-17(12-26-29-19)22(16)13-2-3-13)28-23(30-31)14-4-6-15(7-5-14)24(32)27-20-11-18(20)25/h6-11,15,17,34H,2-5,12-14,16H2,1H3,(H,28,31)(H,30,35);6-11,14,16-17,21,34H,4-5,12-13,15H2,1-3H3,(H,28,31)(H,29,35);4-9,13,15,21,30H,2-3,10-12,14H2,1H3,(H,31,33);4-9,13-14H,2-3,10-12H2,1H3,(H,29,32)(H,31,35);5-10,12-15H,3-4,11H2,1-2H3,(H,26,30)(H,28,34);6-11,13,15,19,32H,3-5,12,14H2,1-2H3,(H,26,29)(H,27,33);4-9,12-13,18,20H,2-3,10-11H2,1H3,(H,26,29)(H,27,32)/t;21-;;;;;18-,20-/m.0....0/s1
InChIKeyOGUCMSPGRWGVMC-JITMCNMESA-N
XLogP27.09
TPSA701.18 Ų
H-Bond Donors17
H-Bond Acceptors41
Rotatable Bonds47
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003260.75
LogP ≤ 527.09
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1041

Analyze 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]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-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 167634477) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]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-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide is CC(C)C[C@@H](CO)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCC(CO)NC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.Cn1cc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)cn1.Cn1nc(-c2ccc(C(=O)N3CCNC(C(F)(F)F)C3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(C(F)(F)F)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)NC3(CO)CCCC3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.Cn1nc(-c2ccc(C(=O)N[C@H]3C[C@@H]3F)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-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is OGUCMSPGRWGVMC-JITMCNMESA-N. The full InChI is InChI=1S/C27H30N6O2.C27H32N6O2.C26H26F3N7O.C25H23F3N6O.C25H24N8O.C25H28N6O2.C24H23FN6O/c1-33-23(14-20-10-11-22-21(15-28-31-22)24(20)17-4-5-17)29-25(32-33)18-6-8-19(9-7-18)26(35)30-27(16-34)12-2-3-13-27;1-16(2)12-21(15-34)29-27(35)19-8-6-18(7-9-19)26-30-24(33(3)32-26)13-20-10-11-23-22(14-28-31-23)25(20)17-4-5-17;1-35-22(12-18-8-9-20-19(13-31-33-20)23(18)15-2-3-15)32-24(34-35)16-4-6-17(7-5-16)25(37)36-11-10-30-21(14-36)26(27,28)29;1-34-20(12-17-8-9-19-18(13-29-32-19)21(17)14-2-3-14)30-22(33-34)15-4-6-16(7-5-15)23(35)31-24(10-11-24)25(26,27)28;1-32-14-19(12-27-32)28-25(34)17-7-5-16(6-8-17)24-29-22(33(2)31-24)11-18-9-10-21-20(13-26-30-21)23(18)15-3-4-15;1-3-19(14-32)27-25(33)17-8-6-16(7-9-17)24-28-22(31(2)30-24)12-18-10-11-21-20(13-26-29-21)23(18)15-4-5-15;1-31-21(10-16-8-9-19-17(12-26-29-19)22(16)13-2-3-13)28-23(30-31)14-4-6-15(7-5-14)24(32)27-20-11-18(20)25/h6-11,15,17,34H,2-5,12-14,16H2,1H3,(H,28,31)(H,30,35);6-11,14,16-17,21,34H,4-5,12-13,15H2,1-3H3,(H,28,31)(H,29,35);4-9,13,15,21,30H,2-3,10-12,14H2,1H3,(H,31,33);4-9,13-14H,2-3,10-12H2,1H3,(H,29,32)(H,31,35);5-10,12-15H,3-4,11H2,1-2H3,(H,26,30)(H,28,34);6-11,13,15,19,32H,3-5,12,14H2,1-2H3,(H,26,29)(H,27,33);4-9,12-13,18,20H,2-3,10-11H2,1H3,(H,26,29)(H,27,32)/t;21-;;;;;18-,20-/m.0....0/s1.
What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 3260.75 g/mol, XLogP of 27.09, 47 rotatable bonds, 17 hydrogen bond donors, and 41 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-[(1S,2S)-2-fluorocyclopropyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-hydroxybutan-2-yl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylpyrazol-4-yl)benzamide;[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 167634477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).