5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole

C179H180Cl8N48O19 — CID 157203542

IUPAC5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole
SMILESCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.COCc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)N1CCC(O)CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1(O)CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1CCCCC1O.Cn1nc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cnn(Cc3ccccc3)c2)nc1Cc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C26H29ClN6O4.C25H27ClN6O4.C24H27ClN6O3.C23H23ClN6O4.C22H21ClN6O2.C21H18ClN7.C19H17ClN6O.C19H18ClN5O/c1-33-23(12-15-7-9-18-17(25(15)27)13-28-31-18)30-26(32-33)16-8-10-21(22(11-16)36-2)37-14-24(35)29-19-5-3-4-6-20(19)34;1-31-22(12-15-3-5-19-18(24(15)26)13-27-29-19)28-25(30-31)16-4-6-20(21(11-16)35-2)36-14-23(34)32-9-7-17(33)8-10-32;1-24(2,3)28-21(32)13-34-18-9-7-15(10-19(18)33-5)23-27-20(31(4)30-23)11-14-6-8-17-16(22(14)25)12-26-29-17;1-30-19(10-13-3-5-16-15(21(13)24)11-25-28-16)26-22(29-30)14-4-6-17(18(9-14)33-2)34-12-20(31)27-23(32)7-8-23;1-28-19(12-16-6-7-18-17(20(16)23)13-24-26-18)25-21(27-28)14-2-4-15(5-3-14)22(30)29-8-10-31-11-9-29;1-28-19(9-15-7-8-18-17(20(15)22)11-23-26-18)25-21(27-28)16-10-24-29(13-16)12-14-5-3-2-4-6-14;1-21-19(27)12-5-3-11(4-6-12)18-23-16(26(2)25-18)9-13-7-8-15-14(17(13)20)10-22-24-15;1-25-17(9-14-7-8-16-15(18(14)20)10-21-23-16)22-19(24-25)13-5-3-12(4-6-13)11-26-2/h7-11,13,19-20,34H,3-6,12,14H2,1-2H3,(H,28,31)(H,29,35);3-6,11,13,17,33H,7-10,12,14H2,1-2H3,(H,27,29);6-10,12H,11,13H2,1-5H3,(H,26,29)(H,28,32);3-6,9,11,32H,7-8,10,12H2,1-2H3,(H,25,28)(H,27,31);2-7,13H,8-12H2,1H3,(H,24,26);2-8,10-11,13H,9,12H2,1H3,(H,23,26);3-8,10H,9H2,1-2H3,(H,21,27)(H,22,24);3-8,10H,9,11H2,1-2H3,(H,21,23)
InChIKeyARBUOGZXKICYEM-UHFFFAOYSA-N
MW3591.35 g/mol
LogP26.51
Rot. Bonds48

About 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole

5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole (PubChem CID 157203542) has the molecular formula C179H180Cl8N48O19 and a molecular weight of 3591.35 g/mol. Its IUPAC name is 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole
PubChem CID157203542
Molecular FormulaC179H180Cl8N48O19
Molecular Weight3591.35 g/mol
Exact Mass3585.21
IUPAC Name5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole
SMILESCNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.COCc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)N1CCC(O)CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1(O)CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1CCCCC1O.Cn1nc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cnn(Cc3ccccc3)c2)nc1Cc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C26H29ClN6O4.C25H27ClN6O4.C24H27ClN6O3.C23H23ClN6O4.C22H21ClN6O2.C21H18ClN7.C19H17ClN6O.C19H18ClN5O/c1-33-23(12-15-7-9-18-17(25(15)27)13-28-31-18)30-26(32-33)16-8-10-21(22(11-16)36-2)37-14-24(35)29-19-5-3-4-6-20(19)34;1-31-22(12-15-3-5-19-18(24(15)26)13-27-29-19)28-25(30-31)16-4-6-20(21(11-16)35-2)36-14-23(34)32-9-7-17(33)8-10-32;1-24(2,3)28-21(32)13-34-18-9-7-15(10-19(18)33-5)23-27-20(31(4)30-23)11-14-6-8-17-16(22(14)25)12-26-29-17;1-30-19(10-13-3-5-16-15(21(13)24)11-25-28-16)26-22(29-30)14-4-6-17(18(9-14)33-2)34-12-20(31)27-23(32)7-8-23;1-28-19(12-16-6-7-18-17(20(16)23)13-24-26-18)25-21(27-28)14-2-4-15(5-3-14)22(30)29-8-10-31-11-9-29;1-28-19(9-15-7-8-18-17(20(15)22)11-23-26-18)25-21(27-28)16-10-24-29(13-16)12-14-5-3-2-4-6-14;1-21-19(27)12-5-3-11(4-6-12)18-23-16(26(2)25-18)9-13-7-8-15-14(17(13)20)10-22-24-15;1-25-17(9-14-7-8-16-15(18(14)20)10-21-23-16)22-19(24-25)13-5-3-12(4-6-13)11-26-2/h7-11,13,19-20,34H,3-6,12,14H2,1-2H3,(H,28,31)(H,29,35);3-6,11,13,17,33H,7-10,12,14H2,1-2H3,(H,27,29);6-10,12H,11,13H2,1-5H3,(H,26,29)(H,28,32);3-6,9,11,32H,7-8,10,12H2,1-2H3,(H,25,28)(H,27,31);2-7,13H,8-12H2,1H3,(H,24,26);2-8,10-11,13H,9,12H2,1H3,(H,23,26);3-8,10H,9H2,1-2H3,(H,21,27)(H,22,24);3-8,10H,9,11H2,1-2H3,(H,21,23)
InChIKeyARBUOGZXKICYEM-UHFFFAOYSA-N
XLogP26.51
TPSA802.95 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds48
Heavy Atoms254
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003591.35
LogP ≤ 526.51
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The IUPAC name of 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole (CID 157203542) is 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole.
What is the SMILES notation for 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The canonical SMILES for 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole is CNC(=O)c1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.COCc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)N1CCC(O)CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)(C)C.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1(O)CC1.COc1cc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC1CCCCC1O.Cn1nc(-c2ccc(C(=O)N3CCOCC3)cc2)nc1Cc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cnn(Cc3ccccc3)c2)nc1Cc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole?
The InChIKey is ARBUOGZXKICYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O4.C25H27ClN6O4.C24H27ClN6O3.C23H23ClN6O4.C22H21ClN6O2.C21H18ClN7.C19H17ClN6O.C19H18ClN5O/c1-33-23(12-15-7-9-18-17(25(15)27)13-28-31-18)30-26(32-33)16-8-10-21(22(11-16)36-2)37-14-24(35)29-19-5-3-4-6-20(19)34;1-31-22(12-15-3-5-19-18(24(15)26)13-27-29-19)28-25(30-31)16-4-6-20(21(11-16)35-2)36-14-23(34)32-9-7-17(33)8-10-32;1-24(2,3)28-21(32)13-34-18-9-7-15(10-19(18)33-5)23-27-20(31(4)30-23)11-14-6-8-17-16(22(14)25)12-26-29-17;1-30-19(10-13-3-5-16-15(21(13)24)11-25-28-16)26-22(29-30)14-4-6-17(18(9-14)33-2)34-12-20(31)27-23(32)7-8-23;1-28-19(12-16-6-7-18-17(20(16)23)13-24-26-18)25-21(27-28)14-2-4-15(5-3-14)22(30)29-8-10-31-11-9-29;1-28-19(9-15-7-8-18-17(20(15)22)11-23-26-18)25-21(27-28)16-10-24-29(13-16)12-14-5-3-2-4-6-14;1-21-19(27)12-5-3-11(4-6-12)18-23-16(26(2)25-18)9-13-7-8-15-14(17(13)20)10-22-24-15;1-25-17(9-14-7-8-16-15(18(14)20)10-21-23-16)22-19(24-25)13-5-3-12(4-6-13)11-26-2/h7-11,13,19-20,34H,3-6,12,14H2,1-2H3,(H,28,31)(H,29,35);3-6,11,13,17,33H,7-10,12,14H2,1-2H3,(H,27,29);6-10,12H,11,13H2,1-5H3,(H,26,29)(H,28,32);3-6,9,11,32H,7-8,10,12H2,1-2H3,(H,25,28)(H,27,31);2-7,13H,8-12H2,1H3,(H,24,26);2-8,10-11,13H,9,12H2,1H3,(H,23,26);3-8,10H,9H2,1-2H3,(H,21,27)(H,22,24);3-8,10H,9,11H2,1-2H3,(H,21,23).
What are the key properties of 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole?
5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole has a molecular weight of 3591.35 g/mol, XLogP of 26.51, 48 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(1-benzylpyrazol-4-yl)-2-methyl-1,2,4-triazol-3-yl]methyl]-4-chloro-1H-indazole;N-tert-butyl-2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]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;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1-hydroxycyclopropyl)acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-1-(4-hydroxypiperidin-1-yl)ethanone;4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-methylbenzamide;[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-morpholin-4-ylmethanone;4-chloro-5-[[5-[4-(methoxymethyl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole is sourced from PubChem (CID 157203542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).