6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one

C31H39N7O3 — CID 138715022

About 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one

6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one (PubChem CID 138715022) has the molecular formula C31H39N7O3 and a molecular weight of 557.70 g/mol. Its IUPAC name is 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one.

Molecular Properties

• Compound Name: 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
• PubChem CID: 138715022
• Molecular Formula: C31H39N7O3
• Molecular Weight: 557.70 g/mol
• Exact Mass: 557.31
• IUPAC Name: 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one
• SMILES: CCNc1cc2c(cn1)c(-c1ccc(CN3CC[C@@H](OC)C3)cc1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1
• InChI: InChI=1S/C31H39N7O3/c1-4-32-28-17-27-26(18-33-28)31(22-7-5-21(6-8-22)19-37-16-15-25(20-37)40-3)35-38(27)23-9-11-24(12-10-23)41-29-13-14-30(39)36(2)34-29/h5-8,13-14,17-18,23-25H,4,9-12,15-16,19-20H2,1-3H3,(H,32,33)/t23?,24?,25-/m1/s1
• InChIKey: HYLNKWMPOMKQDE-DDJHWDJXSA-N
• XLogP: 4.41
• TPSA: 99.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.70
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?

The IUPAC name of 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one (CID 138715022) is 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one.

What is the SMILES notation for 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?

The canonical SMILES for 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one is CCNc1cc2c(cn1)c(-c1ccc(CN3CC[C@@H](OC)C3)cc1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1.

What is the InChIKey of 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?

The InChIKey is HYLNKWMPOMKQDE-DDJHWDJXSA-N. The full InChI is InChI=1S/C31H39N7O3/c1-4-32-28-17-27-26(18-33-28)31(22-7-5-21(6-8-22)19-37-16-15-25(20-37)40-3)35-38(27)23-9-11-24(12-10-23)41-29-13-14-30(39)36(2)34-29/h5-8,13-14,17-18,23-25H,4,9-12,15-16,19-20H2,1-3H3,(H,32,33)/t23?,24?,25-/m1/s1.

What are the key properties of 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one?

6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one has a molecular weight of 557.70 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[6-(ethylamino)-3-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one is sourced from PubChem (CID 138715022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).