3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine

C24H26N6 — CID 1234288

IUPAC3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2nc3c(N4CCN(c5ccccc5)CC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C24H26N6/c1-17-9-11-21(12-10-17)30-19(3)22-18(2)25-26-24(23(22)27-30)29-15-13-28(14-16-29)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3
InChIKeyWSACIOLUMKAHLQ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.07
Rot. Bonds3

About 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine

3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine (PubChem CID 1234288) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine
PubChem CID1234288
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine
SMILESCc1ccc(-n2nc3c(N4CCN(c5ccccc5)CC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C24H26N6/c1-17-9-11-21(12-10-17)30-19(3)22-18(2)25-26-24(23(22)27-30)29-15-13-28(14-16-29)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3
InChIKeyWSACIOLUMKAHLQ-UHFFFAOYSA-N
XLogP4.07
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine?
The IUPAC name of 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine (CID 1234288) is 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine is Cc1ccc(-n2nc3c(N4CCN(c5ccccc5)CC4)nnc(C)c3c2C)cc1.
What is the InChIKey of 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine?
The InChIKey is WSACIOLUMKAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-17-9-11-21(12-10-17)30-19(3)22-18(2)25-26-24(23(22)27-30)29-15-13-28(14-16-29)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3.
What are the key properties of 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine?
3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine has a molecular weight of 398.51 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 1234288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).