2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide

C157H205N69O10 — CID 162074740

IUPAC2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
SMILESCc1nc(NCCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(NCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(NC(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCN(C)C)n1
InChIInChI=1S/C21H29N9O.C20H25N9O.2C20H27N9O.C20H26N8O2.C19H25N9O.C19H24N8O2.C18H22N8O/c1-15-22-20(26-21(23-15)30(4)12-8-11-29(2)3)25-18-13-17(27-28-18)14-19(31)24-16-9-6-5-7-10-16;1-14-21-19(25-20(22-14)29-10-8-28(2)9-11-29)24-17-12-16(26-27-17)13-18(30)23-15-6-4-3-5-7-15;1-14-21-19(25-20(22-14)29(4)11-10-28(2)3)24-17-12-16(26-27-17)13-18(30)23-15-8-6-5-7-9-15;1-14-22-19(21-10-7-11-29(2)3)26-20(23-14)25-17-12-16(27-28-17)13-18(30)24-15-8-5-4-6-9-15;1-14-21-19(25-20(22-14)30-11-7-10-28(2)3)24-17-12-16(26-27-17)13-18(29)23-15-8-5-4-6-9-15;1-13-21-18(20-9-10-28(2)3)25-19(22-13)24-16-11-15(26-27-16)12-17(29)23-14-7-5-4-6-8-14;1-13-20-18(24-19(21-13)29-10-9-27(2)3)23-16-11-15(25-26-16)12-17(28)22-14-7-5-4-6-8-14;1-11(2)19-17-20-12(3)21-18(24-17)23-15-9-14(25-26-15)10-16(27)22-13-7-5-4-6-8-13/h5-7,9-10,13H,8,11-12,14H2,1-4H3,(H,24,31)(H2,22,23,25,26,27,28);3-7,12H,8-11,13H2,1-2H3,(H,23,30)(H2,21,22,24,25,26,27);5-9,12H,10-11,13H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,30)(H3,21,22,23,25,26,27,28);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,23,29)(H2,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,23,29)(H3,20,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26);4-9,11H,10H2,1-3H3,(H,22,27)(H3,19,20,21,23,24,25,26)
InChIKeyZBODGKKQBPZSRM-UHFFFAOYSA-N
MW3218.84 g/mol
LogP16.19
Rot. Bonds70

About 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide

2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide (PubChem CID 162074740) has the molecular formula C157H205N69O10 and a molecular weight of 3218.84 g/mol. Its IUPAC name is 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
PubChem CID162074740
Molecular FormulaC157H205N69O10
Molecular Weight3218.84 g/mol
Exact Mass3216.77
IUPAC Name2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide
SMILESCc1nc(NCCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(NCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(NC(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCN(C)C)n1
InChIInChI=1S/C21H29N9O.C20H25N9O.2C20H27N9O.C20H26N8O2.C19H25N9O.C19H24N8O2.C18H22N8O/c1-15-22-20(26-21(23-15)30(4)12-8-11-29(2)3)25-18-13-17(27-28-18)14-19(31)24-16-9-6-5-7-10-16;1-14-21-19(25-20(22-14)29-10-8-28(2)9-11-29)24-17-12-16(26-27-17)13-18(30)23-15-6-4-3-5-7-15;1-14-21-19(25-20(22-14)29(4)11-10-28(2)3)24-17-12-16(26-27-17)13-18(30)23-15-8-6-5-7-9-15;1-14-22-19(21-10-7-11-29(2)3)26-20(23-14)25-17-12-16(27-28-17)13-18(30)24-15-8-5-4-6-9-15;1-14-21-19(25-20(22-14)30-11-7-10-28(2)3)24-17-12-16(26-27-17)13-18(29)23-15-8-5-4-6-9-15;1-13-21-18(20-9-10-28(2)3)25-19(22-13)24-16-11-15(26-27-16)12-17(29)23-14-7-5-4-6-8-14;1-13-20-18(24-19(21-13)29-10-9-27(2)3)23-16-11-15(25-26-16)12-17(28)22-14-7-5-4-6-8-14;1-11(2)19-17-20-12(3)21-18(24-17)23-15-9-14(25-26-15)10-16(27)22-13-7-5-4-6-8-13/h5-7,9-10,13H,8,11-12,14H2,1-4H3,(H,24,31)(H2,22,23,25,26,27,28);3-7,12H,8-11,13H2,1-2H3,(H,23,30)(H2,21,22,24,25,26,27);5-9,12H,10-11,13H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,30)(H3,21,22,23,25,26,27,28);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,23,29)(H2,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,23,29)(H3,20,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26);4-9,11H,10H2,1-3H3,(H,22,27)(H3,19,20,21,23,24,25,26)
InChIKeyZBODGKKQBPZSRM-UHFFFAOYSA-N
XLogP16.19
TPSA954.79 Ų
H-Bond Donors27
H-Bond Acceptors63
Rotatable Bonds70
Heavy Atoms236
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003218.84
LogP ≤ 516.19
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide (CID 162074740) is 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide is Cc1nc(NCCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(NCCN(C)C)nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N(C)CCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(N2CCN(C)CC2)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(NC(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCCN(C)C)n1.Cc1nc(Nc2cc(CC(=O)Nc3ccccc3)[nH]n2)nc(OCCN(C)C)n1.
What is the InChIKey of 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
The InChIKey is ZBODGKKQBPZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N9O.C20H25N9O.2C20H27N9O.C20H26N8O2.C19H25N9O.C19H24N8O2.C18H22N8O/c1-15-22-20(26-21(23-15)30(4)12-8-11-29(2)3)25-18-13-17(27-28-18)14-19(31)24-16-9-6-5-7-10-16;1-14-21-19(25-20(22-14)29-10-8-28(2)9-11-29)24-17-12-16(26-27-17)13-18(30)23-15-6-4-3-5-7-15;1-14-21-19(25-20(22-14)29(4)11-10-28(2)3)24-17-12-16(26-27-17)13-18(30)23-15-8-6-5-7-9-15;1-14-22-19(21-10-7-11-29(2)3)26-20(23-14)25-17-12-16(27-28-17)13-18(30)24-15-8-5-4-6-9-15;1-14-21-19(25-20(22-14)30-11-7-10-28(2)3)24-17-12-16(26-27-17)13-18(29)23-15-8-5-4-6-9-15;1-13-21-18(20-9-10-28(2)3)25-19(22-13)24-16-11-15(26-27-16)12-17(29)23-14-7-5-4-6-8-14;1-13-20-18(24-19(21-13)29-10-9-27(2)3)23-16-11-15(25-26-16)12-17(28)22-14-7-5-4-6-8-14;1-11(2)19-17-20-12(3)21-18(24-17)23-15-9-14(25-26-15)10-16(27)22-13-7-5-4-6-8-13/h5-7,9-10,13H,8,11-12,14H2,1-4H3,(H,24,31)(H2,22,23,25,26,27,28);3-7,12H,8-11,13H2,1-2H3,(H,23,30)(H2,21,22,24,25,26,27);5-9,12H,10-11,13H2,1-4H3,(H,23,30)(H2,21,22,24,25,26,27);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,24,30)(H3,21,22,23,25,26,27,28);4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,23,29)(H2,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,23,29)(H3,20,21,22,24,25,26,27);4-8,11H,9-10,12H2,1-3H3,(H,22,28)(H2,20,21,23,24,25,26);4-9,11H,10H2,1-3H3,(H,22,27)(H3,19,20,21,23,24,25,26).
What are the key properties of 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide?
2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide has a molecular weight of 3218.84 g/mol, XLogP of 16.19, 70 rotatable bonds, 27 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[2-(dimethylamino)ethoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[2-(dimethylamino)ethyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propoxy]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-[3-(dimethylamino)propyl-methylamino]-6-methyl-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide;2-[3-[[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-1H-pyrazol-5-yl]-N-phenylacetamide is sourced from PubChem (CID 162074740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).