2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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

C191H203ClF5N51O8 — CID 167595434

IUPAC2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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(=O)N1CCc2cc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1Cl.CCN1CCc2cc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CCNC(=O)N1CCC(c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.Cn1ccc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(C(=O)NCC(C)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C26H28N6O.C26H30N6.C25H24N8O.C24H24F2N6O.C23H21F3N6O.C23H24N6O.C22H23ClN6O2.C22H29N7O/c1-15-21-8-6-20(12-18(21)10-11-32(15)16(2)33)26-28-24(31(3)30-26)13-19-7-9-23-22(14-27-29-23)25(19)17-4-5-17;1-4-32-12-11-18-13-20(7-9-21(18)16(32)2)26-28-24(31(3)30-26)14-19-8-10-23-22(15-27-29-23)25(19)17-5-6-17;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;1-24(25,26)13-27-23(33)16-7-5-15(6-8-16)22-29-20(32(2)31-22)11-17-9-10-19-18(12-28-30-19)21(17)14-3-4-14;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;1-5-24-23(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;1-3-23-22(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/h6-9,12,14-15,17H,4-5,10-11,13H2,1-3H3,(H,27,29);7-10,13,15-17H,4-6,11-12,14H2,1-3H3,(H,27,29);5-12,14-15H,3-4,13H2,1-2H3,(H,26,29)(H,27,30,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,27,33)(H,28,30);4-9,11H,1,10,12H2,2-3H3,(H,27,33)(H,28,30);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);6-7,13-15H,3-5,8-12H2,1-2H3,(H,23,30)(H,24,26)
InChIKeyIZQODMAJBHIHLU-UHFFFAOYSA-N
MW3471.52 g/mol
LogP31.66
Rot. Bonds46

About 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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

2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 167595434) has the molecular formula C191H203ClF5N51O8 and a molecular weight of 3471.52 g/mol. Its IUPAC name is 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 Name2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 CID167595434
Molecular FormulaC191H203ClF5N51O8
Molecular Weight3471.52 g/mol
Exact Mass3468.67
IUPAC Name2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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(=O)N1CCc2cc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1Cl.CCN1CCc2cc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CCNC(=O)N1CCC(c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.Cn1ccc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(C(=O)NCC(C)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C26H28N6O.C26H30N6.C25H24N8O.C24H24F2N6O.C23H21F3N6O.C23H24N6O.C22H23ClN6O2.C22H29N7O/c1-15-21-8-6-20(12-18(21)10-11-32(15)16(2)33)26-28-24(31(3)30-26)13-19-7-9-23-22(14-27-29-23)25(19)17-4-5-17;1-4-32-12-11-18-13-20(7-9-21(18)16(32)2)26-28-24(31(3)30-26)14-19-8-10-23-22(15-27-29-23)25(19)17-5-6-17;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;1-24(25,26)13-27-23(33)16-7-5-15(6-8-16)22-29-20(32(2)31-22)11-17-9-10-19-18(12-28-30-19)21(17)14-3-4-14;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;1-5-24-23(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;1-3-23-22(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/h6-9,12,14-15,17H,4-5,10-11,13H2,1-3H3,(H,27,29);7-10,13,15-17H,4-6,11-12,14H2,1-3H3,(H,27,29);5-12,14-15H,3-4,13H2,1-2H3,(H,26,29)(H,27,30,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,27,33)(H,28,30);4-9,11H,1,10,12H2,2-3H3,(H,27,33)(H,28,30);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);6-7,13-15H,3-5,8-12H2,1-2H3,(H,23,30)(H,24,26)
InChIKeyIZQODMAJBHIHLU-UHFFFAOYSA-N
XLogP31.66
TPSA703.56 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds46
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003471.52
LogP ≤ 531.66
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Analyze 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 167595434) is 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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(=O)N1CCc2cc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1Cl.CCN1CCc2cc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)ccc2C1C.CCNC(=O)N1CCC(c2nc(Cc3ccc4[nH]ncc4c3C3CC3)n(C)n2)CC1.Cn1ccc(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4C4CC4)n(C)n3)cc2)n1.Cn1nc(-c2ccc(C(=O)NCC(C)(F)F)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 IZQODMAJBHIHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O.C26H30N6.C25H24N8O.C24H24F2N6O.C23H21F3N6O.C23H24N6O.C22H23ClN6O2.C22H29N7O/c1-15-21-8-6-20(12-18(21)10-11-32(15)16(2)33)26-28-24(31(3)30-26)13-19-7-9-23-22(14-27-29-23)25(19)17-4-5-17;1-4-32-12-11-18-13-20(7-9-21(18)16(32)2)26-28-24(31(3)30-26)14-19-8-10-23-22(15-27-29-23)25(19)17-5-6-17;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;1-24(25,26)13-27-23(33)16-7-5-15(6-8-16)22-29-20(32(2)31-22)11-17-9-10-19-18(12-28-30-19)21(17)14-3-4-14;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;1-5-24-23(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;1-3-23-22(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/h6-9,12,14-15,17H,4-5,10-11,13H2,1-3H3,(H,27,29);7-10,13,15-17H,4-6,11-12,14H2,1-3H3,(H,27,29);5-12,14-15H,3-4,13H2,1-2H3,(H,26,29)(H,27,30,34);5-10,12,14H,3-4,11,13H2,1-2H3,(H,27,33)(H,28,30);4-9,11H,1,10,12H2,2-3H3,(H,27,33)(H,28,30);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);6-7,13-15H,3-5,8-12H2,1-2H3,(H,23,30)(H,24,26).
What are the key properties of 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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?
2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 3471.52 g/mol, XLogP of 31.66, 46 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylpiperidine-1-carboxamide;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;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;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 167595434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).