N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide

C198H183Cl13N56O9 — CID 161082442

IUPACN-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C)c1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CN1CC(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4Cl)n(C)n3)cc2Cl)C1.Cn1nc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC(C)(C)C)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)c(Cl)c2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)Nc3ccccc3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)Nc3cccnc3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C24H19ClN6O.C23H18ClN7O.C22H21Cl2N7O.C22H20Cl2N6O.C22H22Cl2N6O.C22H21ClN6O.C22H23ClN6O.C21H21ClN6O.C20H18Cl2N6O/c1-31-21(13-17-11-12-20-19(22(17)25)14-26-29-20)28-23(30-31)15-7-9-16(10-8-15)24(32)27-18-5-3-2-4-6-18;1-31-20(11-16-8-9-19-18(21(16)24)13-26-29-19)28-22(30-31)14-4-6-15(7-5-14)23(32)27-17-3-2-10-25-12-17;1-30-10-14(11-30)26-22(32)15-5-3-13(7-17(15)23)21-27-19(31(2)29-21)8-12-4-6-18-16(20(12)24)9-25-28-18;1-22(7-8-22)27-21(31)14-5-3-13(9-16(14)23)20-26-18(30(2)29-20)10-12-4-6-17-15(19(12)24)11-25-28-17;1-22(2,3)27-21(31)14-7-5-13(9-16(14)23)20-26-18(30(4)29-20)10-12-6-8-17-15(19(12)24)11-25-28-17;1-22(9-10-22)26-21(30)14-5-3-13(4-6-14)20-25-18(29(2)28-20)11-15-7-8-17-16(19(15)23)12-24-27-17;1-22(2,3)26-21(30)14-7-5-13(6-8-14)20-25-18(29(4)28-20)11-15-9-10-17-16(19(15)23)12-24-27-17;1-4-23-21(29)14-5-7-15(12(2)9-14)20-25-18(28(3)27-20)10-13-6-8-17-16(19(13)22)11-24-26-17;1-3-23-20(29)13-6-4-12(8-15(13)21)19-25-17(28(2)27-19)9-11-5-7-16-14(18(11)22)10-24-26-16/h2-12,14H,13H2,1H3,(H,26,29)(H,27,32);2-10,12-13H,11H2,1H3,(H,26,29)(H,27,32);3-7,9,14H,8,10-11H2,1-2H3,(H,25,28)(H,26,32);3-6,9,11H,7-8,10H2,1-2H3,(H,25,28)(H,27,31);5-9,11H,10H2,1-4H3,(H,25,28)(H,27,31);3-8,12H,9-11H2,1-2H3,(H,24,27)(H,26,30);5-10,12H,11H2,1-4H3,(H,24,27)(H,26,30);5-9,11H,4,10H2,1-3H3,(H,23,29)(H,24,26);4-8,10H,3,9H2,1-2H3,(H,23,29)(H,24,26)
InChIKeyUGBUQYMRYFYNCN-UHFFFAOYSA-N
MW3951.91 g/mol
LogP37.41
Rot. Bonds43

About N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide

N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide (PubChem CID 161082442) has the molecular formula C198H183Cl13N56O9 and a molecular weight of 3951.91 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide
PubChem CID161082442
Molecular FormulaC198H183Cl13N56O9
Molecular Weight3951.91 g/mol
Exact Mass3943.15
IUPAC NameN-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide
SMILESCCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C)c1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CN1CC(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4Cl)n(C)n3)cc2Cl)C1.Cn1nc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC(C)(C)C)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)c(Cl)c2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)Nc3ccccc3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)Nc3cccnc3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C24H19ClN6O.C23H18ClN7O.C22H21Cl2N7O.C22H20Cl2N6O.C22H22Cl2N6O.C22H21ClN6O.C22H23ClN6O.C21H21ClN6O.C20H18Cl2N6O/c1-31-21(13-17-11-12-20-19(22(17)25)14-26-29-20)28-23(30-31)15-7-9-16(10-8-15)24(32)27-18-5-3-2-4-6-18;1-31-20(11-16-8-9-19-18(21(16)24)13-26-29-19)28-22(30-31)14-4-6-15(7-5-14)23(32)27-17-3-2-10-25-12-17;1-30-10-14(11-30)26-22(32)15-5-3-13(7-17(15)23)21-27-19(31(2)29-21)8-12-4-6-18-16(20(12)24)9-25-28-18;1-22(7-8-22)27-21(31)14-5-3-13(9-16(14)23)20-26-18(30(2)29-20)10-12-4-6-17-15(19(12)24)11-25-28-17;1-22(2,3)27-21(31)14-7-5-13(9-16(14)23)20-26-18(30(4)29-20)10-12-6-8-17-15(19(12)24)11-25-28-17;1-22(9-10-22)26-21(30)14-5-3-13(4-6-14)20-25-18(29(2)28-20)11-15-7-8-17-16(19(15)23)12-24-27-17;1-22(2,3)26-21(30)14-7-5-13(6-8-14)20-25-18(29(4)28-20)11-15-9-10-17-16(19(15)23)12-24-27-17;1-4-23-21(29)14-5-7-15(12(2)9-14)20-25-18(28(3)27-20)10-13-6-8-17-16(19(13)22)11-24-26-17;1-3-23-20(29)13-6-4-12(8-15(13)21)19-25-17(28(2)27-19)9-11-5-7-16-14(18(11)22)10-24-26-16/h2-12,14H,13H2,1H3,(H,26,29)(H,27,32);2-10,12-13H,11H2,1H3,(H,26,29)(H,27,32);3-7,9,14H,8,10-11H2,1-2H3,(H,25,28)(H,26,32);3-6,9,11H,7-8,10H2,1-2H3,(H,25,28)(H,27,31);5-9,11H,10H2,1-4H3,(H,25,28)(H,27,31);3-8,12H,9-11H2,1-2H3,(H,24,27)(H,26,30);5-10,12H,11H2,1-4H3,(H,24,27)(H,26,30);5-9,11H,4,10H2,1-3H3,(H,23,29)(H,24,26);4-8,10H,3,9H2,1-2H3,(H,23,29)(H,24,26)
InChIKeyUGBUQYMRYFYNCN-UHFFFAOYSA-N
XLogP37.41
TPSA812.54 Ų
H-Bond Donors18
H-Bond Acceptors47
Rotatable Bonds43
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003951.91
LogP ≤ 537.41
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1047

Analyze N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide with MolForge

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Related Compounds

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4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide
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N-cyclopropyl-4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorobenzamide
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6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
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2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-pyrrolidin-3-ylacetamide
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4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-cyano-N-ethylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3,5-difluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-fluorobenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-(trifluoromethyl)benzamide
CID 167579526
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(3-hydroxycyclobutyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(2-hydroxycyclohexyl)acetamide
CID 159288701

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide?
The IUPAC name of N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide (CID 161082442) is N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide is CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C)c1.CCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CN1CC(NC(=O)c2ccc(-c3nc(Cc4ccc5[nH]ncc5c4Cl)n(C)n3)cc2Cl)C1.Cn1nc(-c2ccc(C(=O)NC(C)(C)C)c(Cl)c2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC(C)(C)C)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)c(Cl)c2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)NC3(C)CC3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)Nc3ccccc3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(C(=O)Nc3cccnc3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide?
The InChIKey is UGBUQYMRYFYNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O.C23H18ClN7O.C22H21Cl2N7O.C22H20Cl2N6O.C22H22Cl2N6O.C22H21ClN6O.C22H23ClN6O.C21H21ClN6O.C20H18Cl2N6O/c1-31-21(13-17-11-12-20-19(22(17)25)14-26-29-20)28-23(30-31)15-7-9-16(10-8-15)24(32)27-18-5-3-2-4-6-18;1-31-20(11-16-8-9-19-18(21(16)24)13-26-29-19)28-22(30-31)14-4-6-15(7-5-14)23(32)27-17-3-2-10-25-12-17;1-30-10-14(11-30)26-22(32)15-5-3-13(7-17(15)23)21-27-19(31(2)29-21)8-12-4-6-18-16(20(12)24)9-25-28-18;1-22(7-8-22)27-21(31)14-5-3-13(9-16(14)23)20-26-18(30(2)29-20)10-12-4-6-17-15(19(12)24)11-25-28-17;1-22(2,3)27-21(31)14-7-5-13(9-16(14)23)20-26-18(30(4)29-20)10-12-6-8-17-15(19(12)24)11-25-28-17;1-22(9-10-22)26-21(30)14-5-3-13(4-6-14)20-25-18(29(2)28-20)11-15-7-8-17-16(19(15)23)12-24-27-17;1-22(2,3)26-21(30)14-7-5-13(6-8-14)20-25-18(29(4)28-20)11-15-9-10-17-16(19(15)23)12-24-27-17;1-4-23-21(29)14-5-7-15(12(2)9-14)20-25-18(28(3)27-20)10-13-6-8-17-16(19(13)22)11-24-26-17;1-3-23-20(29)13-6-4-12(8-15(13)21)19-25-17(28(2)27-19)9-11-5-7-16-14(18(11)22)10-24-26-16/h2-12,14H,13H2,1H3,(H,26,29)(H,27,32);2-10,12-13H,11H2,1H3,(H,26,29)(H,27,32);3-7,9,14H,8,10-11H2,1-2H3,(H,25,28)(H,26,32);3-6,9,11H,7-8,10H2,1-2H3,(H,25,28)(H,27,31);5-9,11H,10H2,1-4H3,(H,25,28)(H,27,31);3-8,12H,9-11H2,1-2H3,(H,24,27)(H,26,30);5-10,12H,11H2,1-4H3,(H,24,27)(H,26,30);5-9,11H,4,10H2,1-3H3,(H,23,29)(H,24,26);4-8,10H,3,9H2,1-2H3,(H,23,29)(H,24,26).
What are the key properties of N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide?
N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide has a molecular weight of 3951.91 g/mol, XLogP of 37.41, 43 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-tert-butyl-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethylbenzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylazetidin-3-yl)benzamide;2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-3-methylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1-methylcyclopropyl)benzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-phenylbenzamide;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 161082442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).