N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine

C45H50N14 — CID 139569470

About N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine

N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine (PubChem CID 139569470) has the molecular formula C45H50N14 and a molecular weight of 786.99 g/mol. Its IUPAC name is N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine.

Molecular Properties

• Compound Name: N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine
• PubChem CID: 139569470
• Molecular Formula: C45H50N14
• Molecular Weight: 786.99 g/mol
• Exact Mass: 786.43
• IUPAC Name: N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine
• SMILES: Cc1cccc(-c2[nH]c(CNC3CCCCCC3)nc2-c2ccc3nc(C4CCCC(NCc5nc(-c6ccc7ncnn7c6)c(-c6cccc(C)n6)[nH]5)C4)nn3c2)n1
• InChI: InChI=1S/C45H50N14/c1-28-10-7-16-35(50-28)43-41(31-18-20-39-48-27-49-58(39)25-31)53-38(55-43)24-47-34-15-9-12-30(22-34)45-56-40-21-19-32(26-59(40)57-45)42-44(36-17-8-11-29(2)51-36)54-37(52-42)23-46-33-13-5-3-4-6-14-33/h7-8,10-11,16-21,25-27,30,33-34,46-47H,3-6,9,12-15,22-24H2,1-2H3,(H,52,54)(H,53,55)
• InChIKey: OVLBJXLDYYEEAJ-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 167.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	786.99
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine?

The IUPAC name of N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine (CID 139569470) is N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine.

What is the SMILES notation for N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine?

The canonical SMILES for N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine is Cc1cccc(-c2[nH]c(CNC3CCCCCC3)nc2-c2ccc3nc(C4CCCC(NCc5nc(-c6ccc7ncnn7c6)c(-c6cccc(C)n6)[nH]5)C4)nn3c2)n1.

What is the InChIKey of N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine?

The InChIKey is OVLBJXLDYYEEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50N14/c1-28-10-7-16-35(50-28)43-41(31-18-20-39-48-27-49-58(39)25-31)53-38(55-43)24-47-34-15-9-12-30(22-34)45-56-40-21-19-32(26-59(40)57-45)42-44(36-17-8-11-29(2)51-36)54-37(52-42)23-46-33-13-5-3-4-6-14-33/h7-8,10-11,16-21,25-27,30,33-34,46-47H,3-6,9,12-15,22-24H2,1-2H3,(H,52,54)(H,53,55).

What are the key properties of N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine?

N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine has a molecular weight of 786.99 g/mol, XLogP of 7.92, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(6-methyl-2-pyridinyl)-4-[2-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]cyclohexyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]cycloheptanamine is sourced from PubChem (CID 139569470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).