4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C143H137Cl8F3N56O12S2 — CID 159662601

IUPAC4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)C(F)(F)F.COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1OC.Cn1nc(-c2ccc(N3CCOCC3)nc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(CNS(C)(=O)=O)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(CO)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cncnc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCCNC2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C22H21ClF3N7O3.C20H20ClN7O3S.C19H19ClN8O.C18H18ClN7O2S.C18H17ClN6O2.C17H15ClN6O.C15H16ClN7.C14H11ClN8/c1-11(22(24,25)26)28-18(34)10-36-16-7-4-12(8-17(16)35-3)20-30-21(33(2)32-20)29-15-6-5-14-13(19(15)23)9-27-31-14;1-27-20(23-17-7-6-16-15(18(17)21)12-22-25-16)24-19(26-27)13-2-4-14(5-3-13)32(29,30)28-8-10-31-11-9-28;1-27-19(23-15-4-3-14-13(17(15)20)11-22-25-14)24-18(26-27)12-2-5-16(21-10-12)28-6-8-29-9-7-28;1-26-18(22-15-7-6-14-13(16(15)19)10-20-24-14)23-17(25-26)12-5-3-4-11(8-12)9-21-29(2,27)28;1-25-18(21-13-6-5-12-11(16(13)19)9-20-23-12)22-17(24-25)10-4-7-14(26-2)15(8-10)27-3;1-24-17(20-14-6-5-13-12(15(14)18)8-19-22-13)21-16(23-24)11-4-2-3-10(7-11)9-25;1-23-15(20-14(22-23)9-3-2-6-17-7-9)19-12-5-4-11-10(13(12)16)8-18-21-11;1-23-14(20-13(22-23)8-4-16-7-17-5-8)19-11-3-2-10-9(12(11)15)6-18-21-10/h4-9,11H,10H2,1-3H3,(H,27,31)(H,28,34)(H,29,30,32);2-7,12H,8-11H2,1H3,(H,22,25)(H,23,24,26);2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,24,26);3-8,10,21H,9H2,1-2H3,(H,20,24)(H,22,23,25);4-9H,1-3H3,(H,20,23)(H,21,22,24);2-8,25H,9H2,1H3,(H,19,22)(H,20,21,23);3-5,8,17H,2,6-7H2,1H3,(H,18,21)(H,19,20,22);2-7H,1H3,(H,18,21)(H,19,20,22)
InChIKeyMSZUCYKIKYAOCI-UHFFFAOYSA-N
MW3236.80 g/mol
LogP24.81
Rot. Bonds38

About 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine

4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 159662601) has the molecular formula C143H137Cl8F3N56O12S2 and a molecular weight of 3236.80 g/mol. Its IUPAC name is 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID159662601
Molecular FormulaC143H137Cl8F3N56O12S2
Molecular Weight3236.80 g/mol
Exact Mass3230.87
IUPAC Name4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)C(F)(F)F.COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1OC.Cn1nc(-c2ccc(N3CCOCC3)nc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(CNS(C)(=O)=O)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(CO)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cncnc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCCNC2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C22H21ClF3N7O3.C20H20ClN7O3S.C19H19ClN8O.C18H18ClN7O2S.C18H17ClN6O2.C17H15ClN6O.C15H16ClN7.C14H11ClN8/c1-11(22(24,25)26)28-18(34)10-36-16-7-4-12(8-17(16)35-3)20-30-21(33(2)32-20)29-15-6-5-14-13(19(15)23)9-27-31-14;1-27-20(23-17-7-6-16-15(18(17)21)12-22-25-16)24-19(26-27)13-2-4-14(5-3-13)32(29,30)28-8-10-31-11-9-28;1-27-19(23-15-4-3-14-13(17(15)20)11-22-25-14)24-18(26-27)12-2-5-16(21-10-12)28-6-8-29-9-7-28;1-26-18(22-15-7-6-14-13(16(15)19)10-20-24-14)23-17(25-26)12-5-3-4-11(8-12)9-21-29(2,27)28;1-25-18(21-13-6-5-12-11(16(13)19)9-20-23-12)22-17(24-25)10-4-7-14(26-2)15(8-10)27-3;1-24-17(20-14-6-5-13-12(15(14)18)8-19-22-13)21-16(23-24)11-4-2-3-10(7-11)9-25;1-23-15(20-14(22-23)9-3-2-6-17-7-9)19-12-5-4-11-10(13(12)16)8-18-21-11;1-23-14(20-13(22-23)8-4-16-7-17-5-8)19-11-3-2-10-9(12(11)15)6-18-21-10/h4-9,11H,10H2,1-3H3,(H,27,31)(H,28,34)(H,29,30,32);2-7,12H,8-11H2,1H3,(H,22,25)(H,23,24,26);2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,24,26);3-8,10,21H,9H2,1-2H3,(H,20,24)(H,22,23,25);4-9H,1-3H3,(H,20,23)(H,21,22,24);2-8,25H,9H2,1H3,(H,19,22)(H,20,21,23);3-5,8,17H,2,6-7H2,1H3,(H,18,21)(H,19,20,22);2-7H,1H3,(H,18,21)(H,19,20,22)
InChIKeyMSZUCYKIKYAOCI-UHFFFAOYSA-N
XLogP24.81
TPSA813.56 Ų
H-Bond Donors20
H-Bond Acceptors57
Rotatable Bonds38
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003236.80
LogP ≤ 524.81
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1057

Analyze 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 159662601) is 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)ccc1OCC(=O)NC(C)C(F)(F)F.COc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1OC.Cn1nc(-c2ccc(N3CCOCC3)nc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(CNS(C)(=O)=O)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cccc(CO)c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2cncnc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCCNC2)nc1Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is MSZUCYKIKYAOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N7O3.C20H20ClN7O3S.C19H19ClN8O.C18H18ClN7O2S.C18H17ClN6O2.C17H15ClN6O.C15H16ClN7.C14H11ClN8/c1-11(22(24,25)26)28-18(34)10-36-16-7-4-12(8-17(16)35-3)20-30-21(33(2)32-20)29-15-6-5-14-13(19(15)23)9-27-31-14;1-27-20(23-17-7-6-16-15(18(17)21)12-22-25-16)24-19(26-27)13-2-4-14(5-3-13)32(29,30)28-8-10-31-11-9-28;1-27-19(23-15-4-3-14-13(17(15)20)11-22-25-14)24-18(26-27)12-2-5-16(21-10-12)28-6-8-29-9-7-28;1-26-18(22-15-7-6-14-13(16(15)19)10-20-24-14)23-17(25-26)12-5-3-4-11(8-12)9-21-29(2,27)28;1-25-18(21-13-6-5-12-11(16(13)19)9-20-23-12)22-17(24-25)10-4-7-14(26-2)15(8-10)27-3;1-24-17(20-14-6-5-13-12(15(14)18)8-19-22-13)21-16(23-24)11-4-2-3-10(7-11)9-25;1-23-15(20-14(22-23)9-3-2-6-17-7-9)19-12-5-4-11-10(13(12)16)8-18-21-11;1-23-14(20-13(22-23)8-4-16-7-17-5-8)19-11-3-2-10-9(12(11)15)6-18-21-10/h4-9,11H,10H2,1-3H3,(H,27,31)(H,28,34)(H,29,30,32);2-7,12H,8-11H2,1H3,(H,22,25)(H,23,24,26);2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,24,26);3-8,10,21H,9H2,1-2H3,(H,20,24)(H,22,23,25);4-9H,1-3H3,(H,20,23)(H,21,22,24);2-8,25H,9H2,1H3,(H,19,22)(H,20,21,23);3-5,8,17H,2,6-7H2,1H3,(H,18,21)(H,19,20,22);2-7H,1H3,(H,18,21)(H,19,20,22).
What are the key properties of 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 3236.80 g/mol, XLogP of 24.81, 38 rotatable bonds, 20 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3,4-dimethoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide;[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methanol;N-[[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]methyl]methanesulfonamide;4-chloro-N-[2-methyl-5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyrimidin-5-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 159662601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).