4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine)

C110H164N28O17 — CID 167709334

About 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine)

4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine) (PubChem CID 167709334) has the molecular formula C110H164N28O17 and a molecular weight of 2150.70 g/mol. Its IUPAC name is 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine).

Molecular Properties

• Compound Name: 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine)
• PubChem CID: 167709334
• Molecular Formula: C110H164N28O17
• Molecular Weight: 2150.70 g/mol
• Exact Mass: 2149.28
• IUPAC Name: 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine)
• SMILES: CCCC(C)Oc1nc(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)c2ncc(C=O)n2n1.CCCC(C)Oc1nc(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)c2ncc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)n2n1.CCCC(C)Oc1nc(N)c2ncc(CN3CCNC[C@H]3C)n2n1.CCCC(C)Oc1nc(N)c2ncc(CN3CCNC[C@H]3C)n2n1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1
• InChI: InChI=1S/C39H55N7O7.C29H35N5O6.2C16H27N7O.C10H20N2O2/c1-11-12-27(3)52-37-41-36(35-40-21-30(46(35)42-37)25-43-17-18-44(22-26(43)2)38(47)53-39(4,5)6)45(23-28-13-15-31(48-7)19-33(28)50-9)24-29-14-16-32(49-8)20-34(29)51-10;1-7-8-19(2)40-29-31-28(27-30-15-22(18-35)34(27)32-29)33(16-20-9-11-23(36-3)13-25(20)38-5)17-21-10-12-24(37-4)14-26(21)39-6;2*1-4-5-12(3)24-16-20-14(17)15-19-9-13(23(15)21-16)10-22-7-6-18-8-11(22)2;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h13-16,19-21,26-27H,11-12,17-18,22-25H2,1-10H3;9-15,18-19H,7-8,16-17H2,1-6H3;2*9,11-12,18H,4-8,10H2,1-3H3,(H2,17,20,21);8,11H,5-7H2,1-4H3/t26-,27?;;2*11-,12?;8-/m1.111/s1
• InChIKey: ZOSJKUISKFMSOE-OWNJXIAWSA-N
• XLogP: 14.47
• TPSA: 463.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 41
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2150.70
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine)?

The IUPAC name of 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine) (CID 167709334) is 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine).

What is the SMILES notation for 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine)?

The canonical SMILES for 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine) is CCCC(C)Oc1nc(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)c2ncc(C=O)n2n1.CCCC(C)Oc1nc(N(Cc2ccc(OC)cc2OC)Cc2ccc(OC)cc2OC)c2ncc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)n2n1.CCCC(C)Oc1nc(N)c2ncc(CN3CCNC[C@H]3C)n2n1.CCCC(C)Oc1nc(N)c2ncc(CN3CCNC[C@H]3C)n2n1.C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1.

What is the InChIKey of 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine)?

The InChIKey is ZOSJKUISKFMSOE-OWNJXIAWSA-N. The full InChI is InChI=1S/C39H55N7O7.C29H35N5O6.2C16H27N7O.C10H20N2O2/c1-11-12-27(3)52-37-41-36(35-40-21-30(46(35)42-37)25-43-17-18-44(22-26(43)2)38(47)53-39(4,5)6)45(23-28-13-15-31(48-7)19-33(28)50-9)24-29-14-16-32(49-8)20-34(29)51-10;1-7-8-19(2)40-29-31-28(27-30-15-22(18-35)34(27)32-29)33(16-20-9-11-23(36-3)13-25(20)38-5)17-21-10-12-24(37-4)14-26(21)39-6;2*1-4-5-12(3)24-16-20-14(17)15-19-9-13(23(15)21-16)10-22-7-6-18-8-11(22)2;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h13-16,19-21,26-27H,11-12,17-18,22-25H2,1-10H3;9-15,18-19H,7-8,16-17H2,1-6H3;2*9,11-12,18H,4-8,10H2,1-3H3,(H2,17,20,21);8,11H,5-7H2,1-4H3/t26-,27?;;2*11-,12?;8-/m1.111/s1.

What are the key properties of 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine)?

4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine) has a molecular weight of 2150.70 g/mol, XLogP of 14.47, 41 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazine-7-carbaldehyde;tert-butyl (3R)-4-[[4-[bis[(2,4-dimethoxyphenyl)methyl]amino]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl]methyl]-3-methylpiperazine-1-carboxylate;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;bis(7-[[(2R)-2-methylpiperazin-1-yl]methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine) is sourced from PubChem (CID 167709334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).