2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine

C32H39N9O4 — CID 163273546

About 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine

2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine (PubChem CID 163273546) has the molecular formula C32H39N9O4 and a molecular weight of 613.72 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine
• PubChem CID: 163273546
• Molecular Formula: C32H39N9O4
• Molecular Weight: 613.72 g/mol
• Exact Mass: 613.31
• IUPAC Name: 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine
• SMILES: COCCN1CCN(c2nc3c(OC4CCOCC4)nc(-n4ncc5c(C)nc(-c6cnccc6OC)cc54)cc3n2C)CC1
• InChI: InChI=1S/C32H39N9O4/c1-21-23-20-34-41(26(23)17-25(35-21)24-19-33-8-5-28(24)43-4)29-18-27-30(31(36-29)45-22-6-14-44-15-7-22)37-32(38(27)2)40-11-9-39(10-12-40)13-16-42-3/h5,8,17-20,22H,6-7,9-16H2,1-4H3
• InChIKey: ADXNYHVVNFSJKY-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 117.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.72
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine?

The IUPAC name of 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine (CID 163273546) is 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine is COCCN1CCN(c2nc3c(OC4CCOCC4)nc(-n4ncc5c(C)nc(-c6cnccc6OC)cc54)cc3n2C)CC1.

What is the InChIKey of 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine?

The InChIKey is ADXNYHVVNFSJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N9O4/c1-21-23-20-34-41(26(23)17-25(35-21)24-19-33-8-5-28(24)43-4)29-18-27-30(31(36-29)45-22-6-14-44-15-7-22)37-32(38(27)2)40-11-9-39(10-12-40)13-16-42-3/h5,8,17-20,22H,6-7,9-16H2,1-4H3.

What are the key properties of 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine?

2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine has a molecular weight of 613.72 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-methoxyethyl)piperazin-1-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methyl-4-(oxan-4-yloxy)imidazo[4,5-c]pyridine is sourced from PubChem (CID 163273546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).