N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol

C117H120ClN37O5S2 — CID 158899602

About N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol

N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol (PubChem CID 158899602) has the molecular formula C117H120ClN37O5S2 and a molecular weight of 2224.09 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol
• PubChem CID: 158899602
• Molecular Formula: C117H120ClN37O5S2
• Molecular Weight: 2224.09 g/mol
• Exact Mass: 2221.94
• IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol
• SMILES: Cc1ccc(CNc2nc(C)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)cn1.Cc1nc(NCc2ccc(CO)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1nc(NCc2ccc(Cl)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1nc(NCc2ccc(S(C)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1nc(NCc2ccc(S(N)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1
• InChI: InChI=1S/C24H25N7O2S.C24H25N7O.C23H22ClN7.C23H24N8O2S.C23H24N8/c1-14-20-12-18(8-11-21(20)30(4)28-14)22-15(2)29-31-23(22)26-16(3)27-24(31)25-13-17-6-9-19(10-7-17)34(5,32)33;1-14-20-11-19(9-10-21(20)30(4)28-14)22-15(2)29-31-23(22)26-16(3)27-24(31)25-12-17-5-7-18(13-32)8-6-17;1-13-19-11-17(7-10-20(19)30(4)28-13)21-14(2)29-31-22(21)26-15(3)27-23(31)25-12-16-5-8-18(24)9-6-16;1-13-19-11-17(7-10-20(19)30(4)28-13)21-14(2)29-31-22(21)26-15(3)27-23(31)25-12-16-5-8-18(9-6-16)34(24,32)33;1-13-6-7-17(11-24-13)12-25-23-27-16(4)26-22-21(15(3)29-31(22)23)18-8-9-20-19(10-18)14(2)28-30(20)5/h6-12H,13H2,1-5H3,(H,25,26,27);5-11,32H,12-13H2,1-4H3,(H,25,26,27);5-11H,12H2,1-4H3,(H,25,26,27);5-11H,12H2,1-4H3,(H2,24,32,33)(H,25,26,27);6-11H,12H2,1-5H3,(H,25,26,27)
• InChIKey: JFGOLRSCXUDKKU-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 492.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 23
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2224.09
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol?

The IUPAC name of N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol (CID 158899602) is N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol is Cc1ccc(CNc2nc(C)nc3c(-c4ccc5c(c4)c(C)nn5C)c(C)nn23)cn1.Cc1nc(NCc2ccc(CO)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1nc(NCc2ccc(Cl)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1nc(NCc2ccc(S(C)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.Cc1nc(NCc2ccc(S(N)(=O)=O)cc2)n2nc(C)c(-c3ccc4c(c3)c(C)nn4C)c2n1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol?

The InChIKey is JFGOLRSCXUDKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S.C24H25N7O.C23H22ClN7.C23H24N8O2S.C23H24N8/c1-14-20-12-18(8-11-21(20)30(4)28-14)22-15(2)29-31-23(22)26-16(3)27-24(31)25-13-17-6-9-19(10-7-17)34(5,32)33;1-14-20-11-19(9-10-21(20)30(4)28-14)22-15(2)29-31-23(22)26-16(3)27-24(31)25-12-17-5-7-18(13-32)8-6-17;1-13-19-11-17(7-10-20(19)30(4)28-13)21-14(2)29-31-22(21)26-15(3)27-23(31)25-12-16-5-8-18(24)9-6-16;1-13-19-11-17(7-10-20(19)30(4)28-13)21-14(2)29-31-22(21)26-15(3)27-23(31)25-12-16-5-8-18(9-6-16)34(24,32)33;1-13-6-7-17(11-24-13)12-25-23-27-16(4)26-22-21(15(3)29-31(22)23)18-8-9-20-19(10-18)14(2)28-30(20)5/h6-12H,13H2,1-5H3,(H,25,26,27);5-11,32H,12-13H2,1-4H3,(H,25,26,27);5-11H,12H2,1-4H3,(H,25,26,27);5-11H,12H2,1-4H3,(H2,24,32,33)(H,25,26,27);6-11H,12H2,1-5H3,(H,25,26,27).

What are the key properties of N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol?

N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol has a molecular weight of 2224.09 g/mol, XLogP of 18.98, 23 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1,3-dimethylindazol-5-yl)-2,7-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]benzenesulfonamide;[4-[[[8-(1,3-dimethylindazol-5-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 158899602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).