2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide

C23H30N4O2 — CID 58151978

IUPAC2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
SMILESCCCOc1ccc(-c2nc3c(C)cc(C)nn3c2CC(=O)N(CC)CC)cc1
InChIInChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)27-23(24-22)16(4)14-17(5)25-27/h9-12,14H,6-8,13,15H2,1-5H3
InChIKeyLGHVTUWAWDVZGU-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.21
Rot. Bonds8

About 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide

2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide (PubChem CID 58151978) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
PubChem CID58151978
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
SMILESCCCOc1ccc(-c2nc3c(C)cc(C)nn3c2CC(=O)N(CC)CC)cc1
InChIInChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)27-23(24-22)16(4)14-17(5)25-27/h9-12,14H,6-8,13,15H2,1-5H3
InChIKeyLGHVTUWAWDVZGU-UHFFFAOYSA-N
XLogP4.21
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[3-[4-[5,7-dimethyl-3-(2-oxopropyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenoxy]propoxy]phenyl]-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 58299421
N,N-diethyl-2-[5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 122591192
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 122591429
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-7-(hydroxymethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118753079
2-[6,8-dichloro-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide
CID 131993659
2-[5,7-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 71181881
2-[4-[7-butyl-3-[2-(diethylamino)-2-oxoethyl]-5-methylpyrazolo[1,5-a]pyrimidin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate
CID 134158905
3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 82035102
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 71625549
[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199352
2-methyl-6-(4-propoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39197835
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide (CID 58151978) is 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide is CCCOc1ccc(-c2nc3c(C)cc(C)nn3c2CC(=O)N(CC)CC)cc1.
What is the InChIKey of 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide?
The InChIKey is LGHVTUWAWDVZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-6-13-29-19-11-9-18(10-12-19)22-20(15-21(28)26(7-2)8-3)27-23(24-22)16(4)14-17(5)25-27/h9-12,14H,6-8,13,15H2,1-5H3.
What are the key properties of 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide?
2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide has a molecular weight of 394.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 58151978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).