6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine

C22H22N8 — CID 121339211

IUPAC6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESc1cnn2c(Cn3ncc4ncc(-c5cnn(C6CCCCC6)c5)cc43)cnc2c1
InChIInChI=1S/C22H22N8/c1-2-5-18(6-3-1)28-14-17(11-26-28)16-9-21-20(23-10-16)13-27-29(21)15-19-12-24-22-7-4-8-25-30(19)22/h4,7-14,18H,1-3,5-6,15H2
InChIKeyZUAVXCFIHWGMJH-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.89
Rot. Bonds4

About 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine

6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 121339211) has the molecular formula C22H22N8 and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID121339211
Molecular FormulaC22H22N8
Molecular Weight398.47 g/mol
Exact Mass398.20
IUPAC Name6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESc1cnn2c(Cn3ncc4ncc(-c5cnn(C6CCCCC6)c5)cc43)cnc2c1
InChIInChI=1S/C22H22N8/c1-2-5-18(6-3-1)28-14-17(11-26-28)16-9-21-20(23-10-16)13-27-29(21)15-19-12-24-22-7-4-8-25-30(19)22/h4,7-14,18H,1-3,5-6,15H2
InChIKeyZUAVXCFIHWGMJH-UHFFFAOYSA-N
XLogP3.89
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (CID 121339211) is 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is c1cnn2c(Cn3ncc4ncc(-c5cnn(C6CCCCC6)c5)cc43)cnc2c1.
What is the InChIKey of 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is ZUAVXCFIHWGMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8/c1-2-5-18(6-3-1)28-14-17(11-26-28)16-9-21-20(23-10-16)13-27-29(21)15-19-12-24-22-7-4-8-25-30(19)22/h4,7-14,18H,1-3,5-6,15H2.
What are the key properties of 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 398.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-b]pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 121339211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).