3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide

C20H15ClN4O2 — CID 58243321

IUPAC3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCOc1cccc(-c2ccc3nc(NC(=O)c4cccc(Cl)c4)cn3n2)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-16-7-3-4-13(11-16)17-8-9-19-22-18(12-25(19)24-17)23-20(26)14-5-2-6-15(21)10-14/h2-12H,1H3,(H,23,26)
InChIKeyYYESACGNRGQCLW-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.31
Rot. Bonds4

About 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide

3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 58243321) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID58243321
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCOc1cccc(-c2ccc3nc(NC(=O)c4cccc(Cl)c4)cn3n2)c1
InChIInChI=1S/C20H15ClN4O2/c1-27-16-7-3-4-13(11-16)17-8-9-19-22-18(12-25(19)24-17)23-20(26)14-5-2-6-15(21)10-14/h2-12H,1H3,(H,23,26)
InChIKeyYYESACGNRGQCLW-UHFFFAOYSA-N
XLogP4.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 58243240
1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243079
1-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243153
1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243120
6-(3-methoxyphenyl)-N-methylimidazo[1,2-b]pyridazin-2-amine
CID 143879206
2-cyclohexyl-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 143879129
3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide
CID 58243291
ethyl 4-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]butanoate
CID 58243144
1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243277
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243292
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 58243321) is 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide is COc1cccc(-c2ccc3nc(NC(=O)c4cccc(Cl)c4)cn3n2)c1.
What is the InChIKey of 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide?
The InChIKey is YYESACGNRGQCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-16-7-3-4-13(11-16)17-8-9-19-22-18(12-25(19)24-17)23-20(26)14-5-2-6-15(21)10-14/h2-12H,1H3,(H,23,26).
What are the key properties of 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide?
3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 378.82 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 58243321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).