2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine

C20H23N5O3S2 — CID 160967230

IUPAC2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine
SMILESCCS(=O)c1c(-c2cn3cnc(S(C)(=O)=O)cc3n2)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C20H23N5O3S2/c1-7-29(26)20-18(23-25-14(5)12(3)11(2)13(4)19(20)25)15-9-24-10-21-17(30(6,27)28)8-16(24)22-15/h8-10H,7H2,1-6H3
InChIKeySXTYWFYIYPOMLG-UHFFFAOYSA-N
MW445.57 g/mol
LogP2.81
Rot. Bonds4

About 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine

2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine (PubChem CID 160967230) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine
PubChem CID160967230
Molecular FormulaC20H23N5O3S2
Molecular Weight445.57 g/mol
Exact Mass445.12
IUPAC Name2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine
SMILESCCS(=O)c1c(-c2cn3cnc(S(C)(=O)=O)cc3n2)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C20H23N5O3S2/c1-7-29(26)20-18(23-25-14(5)12(3)11(2)13(4)19(20)25)15-9-24-10-21-17(30(6,27)28)8-16(24)22-15/h8-10H,7H2,1-6H3
InChIKeySXTYWFYIYPOMLG-UHFFFAOYSA-N
XLogP2.81
TPSA98.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-methylsulfonylimidazo[1,2-c]pyrimidine?
The IUPAC name of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine (CID 160967230) is 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine is CCS(=O)c1c(-c2cn3cnc(S(C)(=O)=O)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-methylsulfonylimidazo[1,2-c]pyrimidine?
The InChIKey is SXTYWFYIYPOMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c1-7-29(26)20-18(23-25-14(5)12(3)11(2)13(4)19(20)25)15-9-24-10-21-17(30(6,27)28)8-16(24)22-15/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-methylsulfonylimidazo[1,2-c]pyrimidine?
2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methylsulfonylimidazo[1,2-c]pyrimidine has a molecular weight of 445.57 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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-methylsulfonylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 160967230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).