6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine

C24H32N4 — CID 145385150

IUPAC6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine
SMILESCCCC(CCC)c1ccc(-c2cc3c(N4CCNCC4)ccnn3c2)cc1
InChIInChI=1S/C24H32N4/c1-3-5-19(6-4-2)20-7-9-21(10-8-20)22-17-24-23(11-12-26-28(24)18-22)27-15-13-25-14-16-27/h7-12,17-19,25H,3-6,13-16H2,1-2H3
InChIKeyQKHIWKKZPYUCTG-UHFFFAOYSA-N
MW376.55 g/mol
LogP5.09
Rot. Bonds7

About 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine

6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine (PubChem CID 145385150) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine
PubChem CID145385150
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine
SMILESCCCC(CCC)c1ccc(-c2cc3c(N4CCNCC4)ccnn3c2)cc1
InChIInChI=1S/C24H32N4/c1-3-5-19(6-4-2)20-7-9-21(10-8-20)22-17-24-23(11-12-26-28(24)18-22)27-15-13-25-14-16-27/h7-12,17-19,25H,3-6,13-16H2,1-2H3
InChIKeyQKHIWKKZPYUCTG-UHFFFAOYSA-N
XLogP5.09
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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GW-6604
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(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
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Frequently Asked Questions

What is the IUPAC name of 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine (CID 145385150) is 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine is CCCC(CCC)c1ccc(-c2cc3c(N4CCNCC4)ccnn3c2)cc1.
What is the InChIKey of 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine?
The InChIKey is QKHIWKKZPYUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-3-5-19(6-4-2)20-7-9-21(10-8-20)22-17-24-23(11-12-26-28(24)18-22)27-15-13-25-14-16-27/h7-12,17-19,25H,3-6,13-16H2,1-2H3.
What are the key properties of 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine?
6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine has a molecular weight of 376.55 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-heptan-4-ylphenyl)-4-piperazin-1-ylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 145385150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).