2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C18H20N6O2S — CID 161002267

IUPAC2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C)ncc3n2C)nn2c(C)cc(C)nc12
InChIInChI=1S/C18H20N6O2S/c1-6-27(25,26)16-15(22-24-12(4)7-11(3)20-18(16)24)17-21-13-8-10(2)19-9-14(13)23(17)5/h7-9H,6H2,1-5H3
InChIKeyTWAQQFZCPQSJKL-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.40
Rot. Bonds3

About 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine

2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 161002267) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID161002267
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C)ncc3n2C)nn2c(C)cc(C)nc12
InChIInChI=1S/C18H20N6O2S/c1-6-27(25,26)16-15(22-24-12(4)7-11(3)20-18(16)24)17-21-13-8-10(2)19-9-14(13)23(17)5/h7-9H,6H2,1-5H3
InChIKeyTWAQQFZCPQSJKL-UHFFFAOYSA-N
XLogP2.40
TPSA95.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 161002267) is 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine is CCS(=O)(=O)c1c(-c2nc3cc(C)ncc3n2C)nn2c(C)cc(C)nc12.
What is the InChIKey of 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is TWAQQFZCPQSJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-6-27(25,26)16-15(22-24-12(4)7-11(3)20-18(16)24)17-21-13-8-10(2)19-9-14(13)23(17)5/h7-9H,6H2,1-5H3.
What are the key properties of 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 384.47 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 161002267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).