6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one

C31H40N8O3 — CID 138715065

About 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one

6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one (PubChem CID 138715065) has the molecular formula C31H40N8O3 and a molecular weight of 572.71 g/mol. Its IUPAC name is 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one.

Molecular Properties

• Compound Name: 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
• PubChem CID: 138715065
• Molecular Formula: C31H40N8O3
• Molecular Weight: 572.71 g/mol
• Exact Mass: 572.32
• IUPAC Name: 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
• SMILES: CNc1cc2c(cn1)c(-c1ccc(C3CCN(CCOC)CC3)nc1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1
• InChI: InChI=1S/C31H40N8O3/c1-32-28-18-27-25(20-34-28)31(22-4-9-26(33-19-22)21-12-14-38(15-13-21)16-17-41-3)36-39(27)23-5-7-24(8-6-23)42-29-10-11-30(40)37(2)35-29/h4,9-11,18-21,23-24H,5-8,12-17H2,1-3H3,(H,32,34)
• InChIKey: RHVWFSGHGQWIGK-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 112.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.71
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?

The IUPAC name of 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one (CID 138715065) is 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one.

What is the SMILES notation for 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?

The canonical SMILES for 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one is CNc1cc2c(cn1)c(-c1ccc(C3CCN(CCOC)CC3)nc1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1.

What is the InChIKey of 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?

The InChIKey is RHVWFSGHGQWIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N8O3/c1-32-28-18-27-25(20-34-28)31(22-4-9-26(33-19-22)21-12-14-38(15-13-21)16-17-41-3)36-39(27)23-5-7-24(8-6-23)42-29-10-11-30(40)37(2)35-29/h4,9-11,18-21,23-24H,5-8,12-17H2,1-3H3,(H,32,34).

What are the key properties of 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?

6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one has a molecular weight of 572.71 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one is sourced from PubChem (CID 138715065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).