2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine

C20H23N5OS — CID 147552945

IUPAC2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine
SMILESCCS(=O)c1c(-c2cn3ncc(C)cc3n2)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C20H23N5OS/c1-7-27(26)20-18(16-10-24-17(22-16)8-11(2)9-21-24)23-25-15(6)13(4)12(3)14(5)19(20)25/h8-10H,7H2,1-6H3
InChIKeyFRCZKPWXMUMOJK-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.71
Rot. Bonds3

About 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine

2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine (PubChem CID 147552945) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine
PubChem CID147552945
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine
SMILESCCS(=O)c1c(-c2cn3ncc(C)cc3n2)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C20H23N5OS/c1-7-27(26)20-18(16-10-24-17(22-16)8-11(2)9-21-24)23-25-15(6)13(4)12(3)14(5)19(20)25/h8-10H,7H2,1-6H3
InChIKeyFRCZKPWXMUMOJK-UHFFFAOYSA-N
XLogP3.71
TPSA64.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine (CID 147552945) is 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine is CCS(=O)c1c(-c2cn3ncc(C)cc3n2)nn2c(C)c(C)c(C)c(C)c12.
What is the InChIKey of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine?
The InChIKey is FRCZKPWXMUMOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-7-27(26)20-18(16-10-24-17(22-16)8-11(2)9-21-24)23-25-15(6)13(4)12(3)14(5)19(20)25/h8-10H,7H2,1-6H3.
What are the key properties of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine?
2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine has a molecular weight of 381.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 147552945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).