2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine

C49H41N17O — CID 145034278

About 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 145034278) has the molecular formula C49H41N17O and a molecular weight of 883.99 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145034278
• Molecular Formula: C49H41N17O
• Molecular Weight: 883.99 g/mol
• Exact Mass: 883.37
• IUPAC Name: 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine
• SMILES: Cc1cn(-c2nccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7nccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(OC%12CCCCC%12)c%11)cc9%10)nc78)cn6)cc(-c6cnn(C)c6)cc45)nc23)cn1
• InChI: InChI=1S/C49H41N17O/c1-27-22-65(25-53-27)48-44-39(10-12-51-48)57-47(59-44)43-37-18-29(32-20-55-64(2)23-32)14-30(41(37)61-63-43)15-33-24-66(26-54-33)49-45-40(11-13-52-49)56-46(58-45)42-36-17-28(8-9-38(36)60-62-42)31-16-35(21-50-19-31)67-34-6-4-3-5-7-34/h8-14,16-26,34H,3-7,15H2,1-2H3,(H,56,58)(H,57,59)(H,60,62)(H,61,63)
• InChIKey: MHGBXMLDAKGFEH-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 216.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	883.99
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine (CID 145034278) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine is Cc1cn(-c2nccc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7nccc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(OC%12CCCCC%12)c%11)cc9%10)nc78)cn6)cc(-c6cnn(C)c6)cc45)nc23)cn1.

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

The InChIKey is MHGBXMLDAKGFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N17O/c1-27-22-65(25-53-27)48-44-39(10-12-51-48)57-47(59-44)43-37-18-29(32-20-55-64(2)23-32)14-30(41(37)61-63-43)15-33-24-66(26-54-33)49-45-40(11-13-52-49)56-46(58-45)42-36-17-28(8-9-38(36)60-62-42)31-16-35(21-50-19-31)67-34-6-4-3-5-7-34/h8-14,16-26,34H,3-7,15H2,1-2H3,(H,56,58)(H,57,59)(H,60,62)(H,61,63).

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 883.99 g/mol, XLogP of 8.76, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-[4-[[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).