4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide

C188H202F10N48O9 — CID 167579221

IUPAC4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC4CCC(F)(F)C4)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(C)(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(C)C)cc3)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
InChIInChI=1S/C25H26F2N6O.C25H30N6O.C24H28N6O.C23H23F3N6O2.C23H23F3N6O.C23H24N6O.C23H26N6O.C22H22F2N6O/c1-3-19-17(8-9-21-20(19)14-28-31-21)12-22-30-23(32-33(22)2)15-4-6-16(7-5-15)24(34)29-18-10-11-25(26,27)13-18;1-6-19-18(11-12-21-20(19)14-27-29-21)13-22-28-23(30-31(22)5)16-7-9-17(10-8-16)24(32)26-15-25(2,3)4;1-5-19-18(10-11-21-20(19)14-26-28-21)12-22-27-23(29-30(22)4)16-6-8-17(9-7-16)24(31)25-13-15(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;1-4-17-16(9-10-19-18(17)12-27-30-19)11-20-29-21(31-32(20)3)14-5-7-15(8-6-14)22(33)28-13(2)23(24,25)26;1-3-24-23(30)16-8-6-15(7-9-16)22-26-20(29(2)28-22)12-17-10-11-19-18(13-25-27-19)21(17)14-4-5-14;1-5-18-17(10-11-20-19(18)13-24-27-20)12-21-26-22(28-29(21)4)15-6-8-16(9-7-15)23(30)25-14(2)3;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/h4-9,14,18H,3,10-13H2,1-2H3,(H,28,31)(H,29,34);7-12,14H,6,13,15H2,1-5H3,(H,26,32)(H,27,29);6-11,14-15H,5,12-13H2,1-4H3,(H,25,31)(H,26,28);5-9,11H,4,10,12H2,1-3H3,(H,27,33)(H,28,30);5-10,12-13H,4,11H2,1-3H3,(H,27,30)(H,28,33);6-11,13-14H,3-5,12H2,1-2H3,(H,24,30)(H,25,27);6-11,13-14H,5,12H2,1-4H3,(H,24,27)(H,25,30);4-9,11,19H,3,10,12H2,1-2H3,(H,25,31)(H,26,28)
InChIKeyGYIPLFBGCHLEAW-UHFFFAOYSA-N
MW3467.99 g/mol
LogP31.35
Rot. Bonds51

About 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide

4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide (PubChem CID 167579221) has the molecular formula C188H202F10N48O9 and a molecular weight of 3467.99 g/mol. Its IUPAC name is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
PubChem CID167579221
Molecular FormulaC188H202F10N48O9
Molecular Weight3467.99 g/mol
Exact Mass3465.67
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC4CCC(F)(F)C4)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(C)(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(C)C)cc3)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
InChIInChI=1S/C25H26F2N6O.C25H30N6O.C24H28N6O.C23H23F3N6O2.C23H23F3N6O.C23H24N6O.C23H26N6O.C22H22F2N6O/c1-3-19-17(8-9-21-20(19)14-28-31-21)12-22-30-23(32-33(22)2)15-4-6-16(7-5-15)24(34)29-18-10-11-25(26,27)13-18;1-6-19-18(11-12-21-20(19)14-27-29-21)13-22-28-23(30-31(22)5)16-7-9-17(10-8-16)24(32)26-15-25(2,3)4;1-5-19-18(10-11-21-20(19)14-26-28-21)12-22-27-23(29-30(22)4)16-6-8-17(9-7-16)24(31)25-13-15(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;1-4-17-16(9-10-19-18(17)12-27-30-19)11-20-29-21(31-32(20)3)14-5-7-15(8-6-14)22(33)28-13(2)23(24,25)26;1-3-24-23(30)16-8-6-15(7-9-16)22-26-20(29(2)28-22)12-17-10-11-19-18(13-25-27-19)21(17)14-4-5-14;1-5-18-17(10-11-20-19(18)13-24-27-20)12-21-26-22(28-29(21)4)15-6-8-16(9-7-15)23(30)25-14(2)3;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/h4-9,14,18H,3,10-13H2,1-2H3,(H,28,31)(H,29,34);7-12,14H,6,13,15H2,1-5H3,(H,26,32)(H,27,29);6-11,14-15H,5,12-13H2,1-4H3,(H,25,31)(H,26,28);5-9,11H,4,10,12H2,1-3H3,(H,27,33)(H,28,30);5-10,12-13H,4,11H2,1-3H3,(H,27,30)(H,28,33);6-11,13-14H,3-5,12H2,1-2H3,(H,24,30)(H,25,27);6-11,13-14H,5,12H2,1-4H3,(H,24,27)(H,25,30);4-9,11,19H,3,10,12H2,1-2H3,(H,25,31)(H,26,28)
InChIKeyGYIPLFBGCHLEAW-UHFFFAOYSA-N
XLogP31.35
TPSA717.15 Ų
H-Bond Donors16
H-Bond Acceptors41
Rotatable Bonds51
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003467.99
LogP ≤ 531.35
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1041

Analyze 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)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-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The IUPAC name of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide (CID 167579221) is 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)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-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The canonical SMILES for 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide is CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)cc1.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C(F)(F)F)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NC4CCC(F)(F)C4)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(C)(C)C)cc3)nn2C)ccc2[nH]ncc12.CCc1c(Cc2nc(-c3ccc(C(=O)NCC(C)C)cc3)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.
What is the InChIKey of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The InChIKey is GYIPLFBGCHLEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O.C25H30N6O.C24H28N6O.C23H23F3N6O2.C23H23F3N6O.C23H24N6O.C23H26N6O.C22H22F2N6O/c1-3-19-17(8-9-21-20(19)14-28-31-21)12-22-30-23(32-33(22)2)15-4-6-16(7-5-15)24(34)29-18-10-11-25(26,27)13-18;1-6-19-18(11-12-21-20(19)14-27-29-21)13-22-28-23(30-31(22)5)16-7-9-17(10-8-16)24(32)26-15-25(2,3)4;1-5-19-18(10-11-21-20(19)14-26-28-21)12-22-27-23(29-30(22)4)16-6-8-17(9-7-16)24(31)25-13-15(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;1-4-17-16(9-10-19-18(17)12-27-30-19)11-20-29-21(31-32(20)3)14-5-7-15(8-6-14)22(33)28-13(2)23(24,25)26;1-3-24-23(30)16-8-6-15(7-9-16)22-26-20(29(2)28-22)12-17-10-11-19-18(13-25-27-19)21(17)14-4-5-14;1-5-18-17(10-11-20-19(18)13-24-27-20)12-21-26-22(28-29(21)4)15-6-8-16(9-7-15)23(30)25-14(2)3;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/h4-9,14,18H,3,10-13H2,1-2H3,(H,28,31)(H,29,34);7-12,14H,6,13,15H2,1-5H3,(H,26,32)(H,27,29);6-11,14-15H,5,12-13H2,1-4H3,(H,25,31)(H,26,28);5-9,11H,4,10,12H2,1-3H3,(H,27,33)(H,28,30);5-10,12-13H,4,11H2,1-3H3,(H,27,30)(H,28,33);6-11,13-14H,3-5,12H2,1-2H3,(H,24,30)(H,25,27);6-11,13-14H,5,12H2,1-4H3,(H,24,27)(H,25,30);4-9,11,19H,3,10,12H2,1-2H3,(H,25,31)(H,26,28).
What are the key properties of 4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide has a molecular weight of 3467.99 g/mol, XLogP of 31.35, 51 rotatable bonds, 16 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-ethylbenzamide;N-(3,3-difluorocyclopentyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-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-(2,2-dimethylpropyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;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-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylpropyl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide is sourced from PubChem (CID 167579221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).