2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C184H187Cl5F5N51O12 — CID 167651948

IUPAC2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1F.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)[nH]c2C1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C28H30N8.C23H22ClF3N6O2.C23H21N7.C22H22Cl2N6O2.C22H22ClFN6O2.C22H23ClN6O2.C22H23FN6O2.C22H24N6O2/c1-3-36-13-12-23-24(16-36)31-27(30-23)18-6-8-19(9-7-18)28-32-25(35(2)34-28)14-20-10-11-22-21(15-29-33-22)26(20)17-4-5-17;1-12(2)29-20(34)11-35-14-5-6-15(17(9-14)23(25,26)27)22-30-19(33(3)32-22)8-13-4-7-18-16(21(13)24)10-28-31-18;1-30-20(12-17-8-9-19-18(13-26-28-19)21(17)14-2-3-14)27-23(29-30)16-6-4-15(5-7-16)22-24-10-11-25-22;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)23)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)24)10-25-28-17;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)24)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)23)10-25-28-17;1-13(2)25-20(30)12-31-16-7-4-14(5-8-16)22-26-19(29(3)28-22)10-15-6-9-18-17(21(15)23)11-24-27-18;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;1-14(2)24-21(29)13-30-18-7-5-16(6-8-18)22-25-20(28(3)27-22)11-15-4-9-19-17(10-15)12-23-26-19/h6-11,15,17H,3-5,12-14,16H2,1-2H3,(H,29,33)(H,30,31);4-7,9-10,12H,8,11H2,1-3H3,(H,28,31)(H,29,34);4-11,13-14H,2-3,12H2,1H3,(H,24,25)(H,26,28);2*4-8,10,12H,9,11H2,1-3H3,(H,25,28)(H,26,31);4-9,11,13H,10,12H2,1-3H3,(H,24,27)(H,25,30);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30);4-10,12,14H,11,13H2,1-3H3,(H,23,26)(H,24,29)
InChIKeyQRZJHYUJFLTJQL-UHFFFAOYSA-N
MW3577.12 g/mol
LogP30.49
Rot. Bonds53

About 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 167651948) has the molecular formula C184H187Cl5F5N51O12 and a molecular weight of 3577.12 g/mol. Its IUPAC name is 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
PubChem CID167651948
Molecular FormulaC184H187Cl5F5N51O12
Molecular Weight3577.12 g/mol
Exact Mass3572.40
IUPAC Name2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1F.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)[nH]c2C1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1
InChIInChI=1S/C28H30N8.C23H22ClF3N6O2.C23H21N7.C22H22Cl2N6O2.C22H22ClFN6O2.C22H23ClN6O2.C22H23FN6O2.C22H24N6O2/c1-3-36-13-12-23-24(16-36)31-27(30-23)18-6-8-19(9-7-18)28-32-25(35(2)34-28)14-20-10-11-22-21(15-29-33-22)26(20)17-4-5-17;1-12(2)29-20(34)11-35-14-5-6-15(17(9-14)23(25,26)27)22-30-19(33(3)32-22)8-13-4-7-18-16(21(13)24)10-28-31-18;1-30-20(12-17-8-9-19-18(13-26-28-19)21(17)14-2-3-14)27-23(29-30)16-6-4-15(5-7-16)22-24-10-11-25-22;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)23)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)24)10-25-28-17;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)24)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)23)10-25-28-17;1-13(2)25-20(30)12-31-16-7-4-14(5-8-16)22-26-19(29(3)28-22)10-15-6-9-18-17(21(15)23)11-24-27-18;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;1-14(2)24-21(29)13-30-18-7-5-16(6-8-18)22-25-20(28(3)27-22)11-15-4-9-19-17(10-15)12-23-26-19/h6-11,15,17H,3-5,12-14,16H2,1-2H3,(H,29,33)(H,30,31);4-7,9-10,12H,8,11H2,1-3H3,(H,28,31)(H,29,34);4-11,13-14H,2-3,12H2,1H3,(H,24,25)(H,26,28);2*4-8,10,12H,9,11H2,1-3H3,(H,25,28)(H,26,31);4-9,11,13H,10,12H2,1-3H3,(H,24,27)(H,25,30);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30);4-10,12,14H,11,13H2,1-3H3,(H,23,26)(H,24,29)
InChIKeyQRZJHYUJFLTJQL-UHFFFAOYSA-N
XLogP30.49
TPSA765.70 Ų
H-Bond Donors16
H-Bond Acceptors47
Rotatable Bonds53
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003577.12
LogP ≤ 530.49
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1047

Analyze 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 167651948) is 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1F.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)[nH]c2C1.Cn1nc(-c2ccc(-c3ncc[nH]3)cc2)nc1Cc1ccc2[nH]ncc2c1C1CC1.
What is the InChIKey of 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is QRZJHYUJFLTJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8.C23H22ClF3N6O2.C23H21N7.C22H22Cl2N6O2.C22H22ClFN6O2.C22H23ClN6O2.C22H23FN6O2.C22H24N6O2/c1-3-36-13-12-23-24(16-36)31-27(30-23)18-6-8-19(9-7-18)28-32-25(35(2)34-28)14-20-10-11-22-21(15-29-33-22)26(20)17-4-5-17;1-12(2)29-20(34)11-35-14-5-6-15(17(9-14)23(25,26)27)22-30-19(33(3)32-22)8-13-4-7-18-16(21(13)24)10-28-31-18;1-30-20(12-17-8-9-19-18(13-26-28-19)21(17)14-2-3-14)27-23(29-30)16-6-4-15(5-7-16)22-24-10-11-25-22;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)23)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)24)10-25-28-17;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)24)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)23)10-25-28-17;1-13(2)25-20(30)12-31-16-7-4-14(5-8-16)22-26-19(29(3)28-22)10-15-6-9-18-17(21(15)23)11-24-27-18;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;1-14(2)24-21(29)13-30-18-7-5-16(6-8-18)22-25-20(28(3)27-22)11-15-4-9-19-17(10-15)12-23-26-19/h6-11,15,17H,3-5,12-14,16H2,1-2H3,(H,29,33)(H,30,31);4-7,9-10,12H,8,11H2,1-3H3,(H,28,31)(H,29,34);4-11,13-14H,2-3,12H2,1H3,(H,24,25)(H,26,28);2*4-8,10,12H,9,11H2,1-3H3,(H,25,28)(H,26,31);4-9,11,13H,10,12H2,1-3H3,(H,24,27)(H,25,30);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30);4-10,12,14H,11,13H2,1-3H3,(H,23,26)(H,24,29).
What are the key properties of 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 3577.12 g/mol, XLogP of 30.49, 53 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 167651948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).