5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine

C47H40N20O — CID 145033462

About 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine (PubChem CID 145033462) has the molecular formula C47H40N20O and a molecular weight of 900.98 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145033462
• Molecular Formula: C47H40N20O
• Molecular Weight: 900.98 g/mol
• Exact Mass: 900.37
• IUPAC Name: 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1cn(-c2nccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7nccc8[nH]c(-c9n[nH]c%10cnc(-c%11cncc(OC%12CCNCC%12)c%11)cc9%10)nc78)cn6)nc(-c6cnc(C)n6C)cc45)nc23)cn1
• InChI: InChI=1S/C47H40N20O/c1-24-20-66(22-54-24)46-42-32(6-10-50-46)58-45(60-42)41-31-15-35(38-19-52-25(2)65(38)3)56-36(39(31)62-64-41)13-27-21-67(23-55-27)47-43-33(7-11-51-47)57-44(59-43)40-30-14-34(53-18-37(30)61-63-40)26-12-29(17-49-16-26)68-28-4-8-48-9-5-28/h6-7,10-12,14-23,28,48H,4-5,8-9,13H2,1-3H3,(H,57,59)(H,58,60)(H,61,63)(H,62,64)
• InChIKey: YKLRTPRMQFNUJX-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 253.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	900.98
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine (CID 145033462) is 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine is Cc1cn(-c2nccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7nccc8[nH]c(-c9n[nH]c%10cnc(-c%11cncc(OC%12CCNCC%12)c%11)cc9%10)nc78)cn6)nc(-c6cnc(C)n6C)cc45)nc23)cn1.

What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine?

The InChIKey is YKLRTPRMQFNUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N20O/c1-24-20-66(22-54-24)46-42-32(6-10-50-46)58-45(60-42)41-31-15-35(38-19-52-25(2)65(38)3)56-36(39(31)62-64-41)13-27-21-67(23-55-27)47-43-33(7-11-51-47)57-44(59-43)40-30-14-34(53-18-37(30)61-63-40)26-12-29(17-49-16-26)68-28-4-8-48-9-5-28/h6-7,10-12,14-23,28,48H,4-5,8-9,13H2,1-3H3,(H,57,59)(H,58,60)(H,61,63)(H,62,64).

What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine?

5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 900.98 g/mol, XLogP of 6.28, 10 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-[[1-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]imidazol-4-yl]methyl]-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145033462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).