3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine

C22H26N4O2S2 — CID 149181317

IUPAC3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine
SMILESCCS(=O)c1c(-c2nc3cc(S(C)=O)ccc3n2C)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C22H26N4O2S2/c1-8-30(28)21-19(24-26-15(5)13(3)12(2)14(4)20(21)26)22-23-17-11-16(29(7)27)9-10-18(17)25(22)6/h9-11H,8H2,1-7H3
InChIKeyXBADBOQQTPQRRJ-UHFFFAOYSA-N
MW442.61 g/mol
LogP3.99
Rot. Bonds4

About 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine

3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 149181317) has the molecular formula C22H26N4O2S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine
PubChem CID149181317
Molecular FormulaC22H26N4O2S2
Molecular Weight442.61 g/mol
Exact Mass442.15
IUPAC Name3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine
SMILESCCS(=O)c1c(-c2nc3cc(S(C)=O)ccc3n2C)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C22H26N4O2S2/c1-8-30(28)21-19(24-26-15(5)13(3)12(2)14(4)20(21)26)22-23-17-11-16(29(7)27)9-10-18(17)25(22)6/h9-11H,8H2,1-7H3
InChIKeyXBADBOQQTPQRRJ-UHFFFAOYSA-N
XLogP3.99
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine (CID 149181317) is 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine is CCS(=O)c1c(-c2nc3cc(S(C)=O)ccc3n2C)nn2c(C)c(C)c(C)c(C)c12.
What is the InChIKey of 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is XBADBOQQTPQRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S2/c1-8-30(28)21-19(24-26-15(5)13(3)12(2)14(4)20(21)26)22-23-17-11-16(29(7)27)9-10-18(17)25(22)6/h9-11H,8H2,1-7H3.
What are the key properties of 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine?
3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 442.61 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-4,5,6,7-tetramethyl-2-(1-methyl-5-methylsulfinylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 149181317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).