8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine

C19H17N5O2S — CID 66679140

IUPAC8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine
SMILESCc1cccc(-c2nc3c(C)cccn3c2-c2ccnc(S(C)(=O)=O)n2)n1
InChIInChI=1S/C19H17N5O2S/c1-12-6-5-11-24-17(15-9-10-20-19(22-15)27(3,25)26)16(23-18(12)24)14-8-4-7-13(2)21-14/h4-11H,1-3H3
InChIKeyVTCFAEGIUJRJNF-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.87
Rot. Bonds3

About 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine

8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine (PubChem CID 66679140) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine
PubChem CID66679140
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine
SMILESCc1cccc(-c2nc3c(C)cccn3c2-c2ccnc(S(C)(=O)=O)n2)n1
InChIInChI=1S/C19H17N5O2S/c1-12-6-5-11-24-17(15-9-10-20-19(22-15)27(3,25)26)16(23-18(12)24)14-8-4-7-13(2)21-14/h4-11H,1-3H3
InChIKeyVTCFAEGIUJRJNF-UHFFFAOYSA-N
XLogP2.87
TPSA90.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine (CID 66679140) is 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine is Cc1cccc(-c2nc3c(C)cccn3c2-c2ccnc(S(C)(=O)=O)n2)n1.
What is the InChIKey of 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine?
The InChIKey is VTCFAEGIUJRJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-6-5-11-24-17(15-9-10-20-19(22-15)27(3,25)26)16(23-18(12)24)14-8-4-7-13(2)21-14/h4-11H,1-3H3.
What are the key properties of 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine?
8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine has a molecular weight of 379.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 66679140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).