2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol

C32H44N8O2 — CID 166970320

About 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol

2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol (PubChem CID 166970320) has the molecular formula C32H44N8O2 and a molecular weight of 572.76 g/mol. Its IUPAC name is 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol.

Molecular Properties

• Compound Name: 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol
• PubChem CID: 166970320
• Molecular Formula: C32H44N8O2
• Molecular Weight: 572.76 g/mol
• Exact Mass: 572.36
• IUPAC Name: 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol
• SMILES: CCNc1cc2c(cn1)c(-c1ccc(CN3CCN(C)CC3)cc1)nn2C1CCC(OC2=NN(CC)C(O)C=C2)CC1
• InChI: InChI=1S/C32H44N8O2/c1-4-33-29-20-28-27(21-34-29)32(24-8-6-23(7-9-24)22-38-18-16-37(3)17-19-38)36-40(28)25-10-12-26(13-11-25)42-30-14-15-31(41)39(5-2)35-30/h6-9,14-15,20-21,25-26,31,41H,4-5,10-13,16-19,22H2,1-3H3,(H,33,34)
• InChIKey: DCBPWTRMQAESTM-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 94.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.76
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol?

The IUPAC name of 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol (CID 166970320) is 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol.

What is the SMILES notation for 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol?

The canonical SMILES for 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol is CCNc1cc2c(cn1)c(-c1ccc(CN3CCN(C)CC3)cc1)nn2C1CCC(OC2=NN(CC)C(O)C=C2)CC1.

What is the InChIKey of 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol?

The InChIKey is DCBPWTRMQAESTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N8O2/c1-4-33-29-20-28-27(21-34-29)32(24-8-6-23(7-9-24)22-38-18-16-37(3)17-19-38)36-40(28)25-10-12-26(13-11-25)42-30-14-15-31(41)39(5-2)35-30/h6-9,14-15,20-21,25-26,31,41H,4-5,10-13,16-19,22H2,1-3H3,(H,33,34).

What are the key properties of 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol?

2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol has a molecular weight of 572.76 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-[4-[6-(ethylamino)-3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-3H-pyridazin-3-ol is sourced from PubChem (CID 166970320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).