2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine

C20H25N3O2S — CID 11349252

IUPAC2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
SMILESCOCCOc1cccc(-c2nc3ccc(SCC(C)C)nn3c2C)c1
InChIInChI=1S/C20H25N3O2S/c1-14(2)13-26-19-9-8-18-21-20(15(3)23(18)22-19)16-6-5-7-17(12-16)25-11-10-24-4/h5-9,12,14H,10-11,13H2,1-4H3
InChIKeyBNFCHAOPVLHEQU-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.48
Rot. Bonds8

About 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine

2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine (PubChem CID 11349252) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
PubChem CID11349252
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine
SMILESCOCCOc1cccc(-c2nc3ccc(SCC(C)C)nn3c2C)c1
InChIInChI=1S/C20H25N3O2S/c1-14(2)13-26-19-9-8-18-21-20(15(3)23(18)22-19)16-6-5-7-17(12-16)25-11-10-24-4/h5-9,12,14H,10-11,13H2,1-4H3
InChIKeyBNFCHAOPVLHEQU-UHFFFAOYSA-N
XLogP4.48
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopropylmethoxy)-2-[3-(2-methoxyethoxy)phenyl]-3-methylimidazo[1,2-b]pyridazine
CID 11382631
2-[4-(2-methoxyethoxy)phenyl]-3-methyl-6-phenylimidazo[1,2-b]pyridazine
CID 11222115
1-[2-(2-methoxyethoxy)ethoxy]-3-(2-methylphenyl)benzene
CID 57485291
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
1-(2-methylpropylsulfanyl)-3-[2-(4-propan-2-ylphenoxy)ethoxy]benzene
CID 177120960
1-but-3-en-2-yl-3-(2-methoxyethoxy)benzene
CID 57136010
2-(3-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63617940
2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
CID 67272914
6-(3-butoxyphenyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 69187154
[2-(3-ethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 144974815
2-[4-[3-(2-methoxyethoxy)phenyl]phenyl]propan-2-ylcarbamic acid
CID 90046992

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine (CID 11349252) is 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine is COCCOc1cccc(-c2nc3ccc(SCC(C)C)nn3c2C)c1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine?
The InChIKey is BNFCHAOPVLHEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-14(2)13-26-19-9-8-18-21-20(15(3)23(18)22-19)16-6-5-7-17(12-16)25-11-10-24-4/h5-9,12,14H,10-11,13H2,1-4H3.
What are the key properties of 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine?
2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine has a molecular weight of 371.51 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)phenyl]-3-methyl-6-(2-methylpropylsulfanyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11349252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).