3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine

C23H24N6 — CID 57407086

IUPAC3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCc1c(-c2ccccc2)nc2ccc(N3CCN(Cc4ccncc4)CC3)nn12
InChIInChI=1S/C23H24N6/c1-18-23(20-5-3-2-4-6-20)25-21-7-8-22(26-29(18)21)28-15-13-27(14-16-28)17-19-9-11-24-12-10-19/h2-12H,13-17H2,1H3
InChIKeyAUZRTIOCMLKAQK-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.42
Rot. Bonds4

About 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine

3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 57407086) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID57407086
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
SMILESCc1c(-c2ccccc2)nc2ccc(N3CCN(Cc4ccncc4)CC3)nn12
InChIInChI=1S/C23H24N6/c1-18-23(20-5-3-2-4-6-20)25-21-7-8-22(26-29(18)21)28-15-13-27(14-16-28)17-19-9-11-24-12-10-19/h2-12H,13-17H2,1H3
InChIKeyAUZRTIOCMLKAQK-UHFFFAOYSA-N
XLogP3.42
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine (CID 57407086) is 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine is Cc1c(-c2ccccc2)nc2ccc(N3CCN(Cc4ccncc4)CC3)nn12.
What is the InChIKey of 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is AUZRTIOCMLKAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-18-23(20-5-3-2-4-6-20)25-21-7-8-22(26-29(18)21)28-15-13-27(14-16-28)17-19-9-11-24-12-10-19/h2-12H,13-17H2,1H3.
What are the key properties of 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine?
3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 384.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 57407086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).