2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide

C21H25ClN4O — CID 24751363

IUPAC2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)nn12
InChIInChI=1S/C21H25ClN4O/c1-4-12-25(13-5-2)20(27)14-17-21(16-8-6-15(3)7-9-16)23-19-11-10-18(22)24-26(17)19/h6-11H,4-5,12-14H2,1-3H3
InChIKeyQYXGEANURIDDCJ-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.55
Rot. Bonds7

About 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide

2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide (PubChem CID 24751363) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide
PubChem CID24751363
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)nn12
InChIInChI=1S/C21H25ClN4O/c1-4-12-25(13-5-2)20(27)14-17-21(16-8-6-15(3)7-9-16)23-19-11-10-18(22)24-26(17)19/h6-11H,4-5,12-14H2,1-3H3
InChIKeyQYXGEANURIDDCJ-UHFFFAOYSA-N
XLogP4.55
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide (CID 24751363) is 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(C)cc2)nc2ccc(Cl)nn12.
What is the InChIKey of 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide?
The InChIKey is QYXGEANURIDDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-4-12-25(13-5-2)20(27)14-17-21(16-8-6-15(3)7-9-16)23-19-11-10-18(22)24-26(17)19/h6-11H,4-5,12-14H2,1-3H3.
What are the key properties of 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide?
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide has a molecular weight of 384.91 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 24751363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).