3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine

C53H45N15O3 — CID 123148365

About 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine

3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine (PubChem CID 123148365) has the molecular formula C53H45N15O3 and a molecular weight of 940.05 g/mol. Its IUPAC name is 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine
• PubChem CID: 123148365
• Molecular Formula: C53H45N15O3
• Molecular Weight: 940.05 g/mol
• Exact Mass: 939.38
• IUPAC Name: 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine
• SMILES: COc1ccn2cc(C3CC3c3cnn4c(COc5ccn6cc(C7CC7c7c8nccc(COc9ccn%10cc(C%11CC%11c%11nn(C)c%12cccnc%11%12)nc%10c9)c8nn7C)nc6c5)ccnc34)nc2c1
• InChI: InChI=1S/C53H45N15O3/c1-63-44-5-4-11-54-50(44)49(62-63)38-21-36(38)42-25-66-15-9-32(18-46(66)59-42)70-27-29-6-12-55-51-48(29)61-64(2)52(51)39-22-37(39)43-26-67-16-10-33(19-47(67)60-43)71-28-30-7-13-56-53-40(23-57-68(30)53)34-20-35(34)41-24-65-14-8-31(69-3)17-45(65)58-41/h4-19,23-26,34-39H,20-22,27-28H2,1-3H3
• InChIKey: LLCPAARIHGFLMX-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 171.20 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.05
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine (CID 123148365) is 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine is COc1ccn2cc(C3CC3c3cnn4c(COc5ccn6cc(C7CC7c7c8nccc(COc9ccn%10cc(C%11CC%11c%11nn(C)c%12cccnc%11%12)nc%10c9)c8nn7C)nc6c5)ccnc34)nc2c1.

What is the InChIKey of 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine?

The InChIKey is LLCPAARIHGFLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N15O3/c1-63-44-5-4-11-54-50(44)49(62-63)38-21-36(38)42-25-66-15-9-32(18-46(66)59-42)70-27-29-6-12-55-51-48(29)61-64(2)52(51)39-22-37(39)43-26-67-16-10-33(19-47(67)60-43)71-28-30-7-13-56-53-40(23-57-68(30)53)34-20-35(34)41-24-65-14-8-31(69-3)17-45(65)58-41/h4-19,23-26,34-39H,20-22,27-28H2,1-3H3.

What are the key properties of 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine?

3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine has a molecular weight of 940.05 g/mol, XLogP of 8.22, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[7-[[3-[2-(7-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]methoxy]imidazo[1,2-a]pyridin-2-yl]cyclopropyl]-2-methyl-7-[[2-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)cyclopropyl]imidazo[1,2-a]pyridin-7-yl]oxymethyl]pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 123148365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).