tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)

C98H152N24O12 — CID 167674792

About tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)

tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine) (PubChem CID 167674792) has the molecular formula C98H152N24O12 and a molecular weight of 1858.45 g/mol. Its IUPAC name is tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine).

Molecular Properties

• Compound Name: tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)
• PubChem CID: 167674792
• Molecular Formula: C98H152N24O12
• Molecular Weight: 1858.45 g/mol
• Exact Mass: 1857.20
• IUPAC Name: tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)
• SMILES: CC(C)(C)OC(=O)N1CCC(C=O)CC1.CCCC(CCC)Oc1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c2nccn2n1.CCCC(CCC)Oc1nc(N)c2ncc(C(O)C3CCN(C(=O)OC(C)(C)C)CC3)n2n1.CCCC(CCC)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1.CCCC(CCC)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1
• InChI: InChI=1S/C28H35N5O3.C23H38N6O4.2C18H30N6O.C11H19NO3/c1-5-7-25(8-6-2)36-28-30-27(26-29-17-18-33(26)31-28)32(19-21-9-13-23(34-3)14-10-21)20-22-11-15-24(35-4)16-12-22;1-6-8-16(9-7-2)32-21-26-19(24)20-25-14-17(29(20)27-21)18(30)15-10-12-28(13-11-15)22(31)33-23(3,4)5;2*1-3-5-15(6-4-2)25-18-22-16(19)17-21-12-14(24(17)23-18)11-13-7-9-20-10-8-13;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h9-18,25H,5-8,19-20H2,1-4H3;14-16,18,30H,6-13H2,1-5H3,(H2,24,26,27);2*12-13,15,20H,3-11H2,1-2H3,(H2,19,22,23);8-9H,4-7H2,1-3H3
• InChIKey: UQOLZHKOZHTTLU-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 429.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 38
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1858.45
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)?

The IUPAC name of tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine) (CID 167674792) is tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine).

What is the SMILES notation for tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)?

The canonical SMILES for tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine) is CC(C)(C)OC(=O)N1CCC(C=O)CC1.CCCC(CCC)Oc1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c2nccn2n1.CCCC(CCC)Oc1nc(N)c2ncc(C(O)C3CCN(C(=O)OC(C)(C)C)CC3)n2n1.CCCC(CCC)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1.CCCC(CCC)Oc1nc(N)c2ncc(CC3CCNCC3)n2n1.

What is the InChIKey of tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)?

The InChIKey is UQOLZHKOZHTTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3.C23H38N6O4.2C18H30N6O.C11H19NO3/c1-5-7-25(8-6-2)36-28-30-27(26-29-17-18-33(26)31-28)32(19-21-9-13-23(34-3)14-10-21)20-22-11-15-24(35-4)16-12-22;1-6-8-16(9-7-2)32-21-26-19(24)20-25-14-17(29(20)27-21)18(30)15-10-12-28(13-11-15)22(31)33-23(3,4)5;2*1-3-5-15(6-4-2)25-18-22-16(19)17-21-12-14(24(17)23-18)11-13-7-9-20-10-8-13;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h9-18,25H,5-8,19-20H2,1-4H3;14-16,18,30H,6-13H2,1-5H3,(H2,24,26,27);2*12-13,15,20H,3-11H2,1-2H3,(H2,19,22,23);8-9H,4-7H2,1-3H3.

What are the key properties of tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine)?

tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine) has a molecular weight of 1858.45 g/mol, XLogP of 16.46, 38 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(4-amino-2-heptan-4-yloxyimidazo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]piperidine-1-carboxylate;tert-butyl 4-formylpiperidine-1-carboxylate;2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;bis(2-heptan-4-yloxy-7-(piperidin-4-ylmethyl)imidazo[2,1-f][1,2,4]triazin-4-amine) is sourced from PubChem (CID 167674792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).