4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one

C106H98Cl5N41O4 — CID 167706756

About 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one

4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 167706756) has the molecular formula C106H98Cl5N41O4 and a molecular weight of 2187.50 g/mol. Its IUPAC name is 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

• Compound Name: 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one
• PubChem CID: 167706756
• Molecular Formula: C106H98Cl5N41O4
• Molecular Weight: 2187.50 g/mol
• Exact Mass: 2183.72
• IUPAC Name: 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one
• SMILES: CN(C)CCNc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.CN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4)n(C)n3)ccc2C1=O.CN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)ccc2C1=O.COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1.Cn1nc(-c2cccnc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccco2)nc1Nc1ccc2[nH]ncc2c1Cl
• InChI: InChI=1S/C20H23ClN8.C20H18ClN7O.C20H19N7O.C17H15ClN6O.C15H12ClN7.C14H11ClN6O/c1-28(2)11-10-22-14-6-4-13(5-7-14)19-25-20(29(3)27-19)24-17-9-8-16-15(18(17)21)12-23-26-16;1-27-8-7-11-9-12(3-4-13(11)19(27)29)18-24-20(28(2)26-18)23-16-6-5-15-14(17(16)21)10-22-25-15;1-26-8-7-12-9-13(3-5-16(12)19(26)28)18-23-20(27(2)25-18)22-15-4-6-17-14(10-15)11-21-24-17;1-24-17(20-14-7-6-13-12(15(14)18)9-19-22-13)21-16(23-24)10-4-3-5-11(8-10)25-2;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;1-21-14(18-13(20-21)11-3-2-6-22-11)17-10-5-4-9-8(12(10)15)7-16-19-9/h4-9,12,22H,10-11H2,1-3H3,(H,23,26)(H,24,25,27);3-6,9-10H,7-8H2,1-2H3,(H,22,25)(H,23,24,26);3-6,9-11H,7-8H2,1-2H3,(H,21,24)(H,22,23,25);3-9H,1-2H3,(H,19,22)(H,20,21,23);2-8H,1H3,(H,18,21)(H,19,20,22);2-7H,1H3,(H,16,19)(H,17,18,20)
• InChIKey: ZFBMGUJYZZPZIX-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 519.67 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2187.50
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one?

The IUPAC name of 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one (CID 167706756) is 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one.

What is the SMILES notation for 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one?

The canonical SMILES for 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one is CN(C)CCNc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1.CN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4)n(C)n3)ccc2C1=O.CN1CCc2cc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)ccc2C1=O.COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1.Cn1nc(-c2cccnc2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(-c2ccco2)nc1Nc1ccc2[nH]ncc2c1Cl.

What is the InChIKey of 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one?

The InChIKey is ZFBMGUJYZZPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN8.C20H18ClN7O.C20H19N7O.C17H15ClN6O.C15H12ClN7.C14H11ClN6O/c1-28(2)11-10-22-14-6-4-13(5-7-14)19-25-20(29(3)27-19)24-17-9-8-16-15(18(17)21)12-23-26-16;1-27-8-7-11-9-12(3-4-13(11)19(27)29)18-24-20(28(2)26-18)23-16-6-5-15-14(17(16)21)10-22-25-15;1-26-8-7-12-9-13(3-5-16(12)19(26)28)18-23-20(27(2)25-18)22-15-4-6-17-14(10-15)11-21-24-17;1-24-17(20-14-7-6-13-12(15(14)18)9-19-22-13)21-16(23-24)10-4-3-5-11(8-10)25-2;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;1-21-14(18-13(20-21)11-3-2-6-22-11)17-10-5-4-9-8(12(10)15)7-16-19-9/h4-9,12,22H,10-11H2,1-3H3,(H,23,26)(H,24,25,27);3-6,9-10H,7-8H2,1-2H3,(H,22,25)(H,23,24,26);3-6,9-11H,7-8H2,1-2H3,(H,21,24)(H,22,23,25);3-9H,1-2H3,(H,19,22)(H,20,21,23);2-8H,1H3,(H,18,21)(H,19,20,22);2-7H,1H3,(H,16,19)(H,17,18,20).

What are the key properties of 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one?

4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 2187.50 g/mol, XLogP of 20.11, 23 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-(furan-2-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one;N-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]phenyl]-N',N'-dimethylethane-1,2-diamine;4-chloro-N-[5-(3-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-1H-indazol-5-amine;6-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 167706756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).