9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine

C54H49N15O — CID 145250167

About 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine

9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine (PubChem CID 145250167) has the molecular formula C54H49N15O and a molecular weight of 924.09 g/mol. Its IUPAC name is 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine.

Molecular Properties

• Compound Name: 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine
• PubChem CID: 145250167
• Molecular Formula: C54H49N15O
• Molecular Weight: 924.09 g/mol
• Exact Mass: 923.42
• IUPAC Name: 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine
• SMILES: Cc1cn(-c2cccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7cccc8[nH]c(C9=NCCCc%10ccc(-c%11cncc(OC%12CCNCC%12)c%11)nc%109)cc78)cn6)cc(-c6cnc(C)n6C)nc45)cc23)cn1
• InChI: InChI=1S/C54H49N15O/c1-31-27-68(29-59-31)47-10-4-9-43-40(47)23-46(62-43)53-54-51(65-66-53)34(21-44(64-54)49-26-58-32(2)67(49)3)19-36-28-69(30-60-36)48-11-5-8-42-39(48)22-45(61-42)52-50-33(7-6-16-57-52)12-13-41(63-50)35-20-38(25-56-24-35)70-37-14-17-55-18-15-37/h4-5,8-13,20-30,37,55,61-62H,6-7,14-19H2,1-3H3,(H,65,66)
• InChIKey: FJEJNWSFHVIZIK-UHFFFAOYSA-N
• XLogP: 8.94
• TPSA: 186.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	924.09
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine?

The IUPAC name of 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine (CID 145250167) is 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine.

What is the SMILES notation for 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine?

The canonical SMILES for 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine is Cc1cn(-c2cccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7cccc8[nH]c(C9=NCCCc%10ccc(-c%11cncc(OC%12CCNCC%12)c%11)nc%109)cc78)cn6)cc(-c6cnc(C)n6C)nc45)cc23)cn1.

What is the InChIKey of 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine?

The InChIKey is FJEJNWSFHVIZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49N15O/c1-31-27-68(29-59-31)47-10-4-9-43-40(47)23-46(62-43)53-54-51(65-66-53)34(21-44(64-54)49-26-58-32(2)67(49)3)19-36-28-69(30-60-36)48-11-5-8-42-39(48)22-45(61-42)52-50-33(7-6-16-57-52)12-13-41(63-50)35-20-38(25-56-24-35)70-37-14-17-55-18-15-37/h4-5,8-13,20-30,37,55,61-62H,6-7,14-19H2,1-3H3,(H,65,66).

What are the key properties of 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine?

9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine has a molecular weight of 924.09 g/mol, XLogP of 8.94, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[[5-(2,3-dimethylimidazol-4-yl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[4,3-b]pyridin-7-yl]methyl]imidazol-1-yl]-1H-indol-2-yl]-2-(5-piperidin-4-yloxy-3-pyridinyl)-6,7-dihydro-5H-pyrido[2,3-c]azepine is sourced from PubChem (CID 145250167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).