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

C20H17N5O2S — CID 66679037

IUPACmethyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(C)n3)c(-c3ccnc(SC)n3)n2c1
InChIInChI=1S/C20H17N5O2S/c1-12-5-4-6-14(22-12)17-18(15-9-10-21-20(23-15)28-3)25-11-13(19(26)27-2)7-8-16(25)24-17/h4-11H,1-3H3
InChIKeyHUFJMAZLBLCKBL-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.67
Rot. Bonds4

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

methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 66679037) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID66679037
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Namemethyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(C)n3)c(-c3ccnc(SC)n3)n2c1
InChIInChI=1S/C20H17N5O2S/c1-12-5-4-6-14(22-12)17-18(15-9-10-21-20(23-15)28-3)25-11-13(19(26)27-2)7-8-16(25)24-17/h4-11H,1-3H3
InChIKeyHUFJMAZLBLCKBL-UHFFFAOYSA-N
XLogP3.67
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 66678798
3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid;hydroxylamine
CID 69378660
3-(2-aminopyrimidin-4-yl)-N-(2-methoxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 66679141
4-[6-chloro-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 66679435
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
4-[[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]butanamide
CID 69327635
methyl 3-hydroxy-4-(6-methyl-2-pyridinyl)benzoate
CID 145449122
3-(2-aminopyrimidin-4-yl)-N',N'-dimethyl-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carbohydrazide
CID 10249673
3-(2-aminopyrimidin-4-yl)-N-(2-hydroxyethyl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 66678363
methyl 3-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 106754119
methyl 3-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate
CID 59176943
methyl 2-[3,5-dichloro-4-[5-(3-chlorophenyl)-1-hydroxy-4-(2-methylsulfanylpyrimidin-4-yl)imidazol-2-yl]phenoxy]acetate
CID 69034510

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 66679037) is methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cccc(C)n3)c(-c3ccnc(SC)n3)n2c1.
What is the InChIKey of methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is HUFJMAZLBLCKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-12-5-4-6-14(22-12)17-18(15-9-10-21-20(23-15)28-3)25-11-13(19(26)27-2)7-8-16(25)24-17/h4-11H,1-3H3.
What are the key properties of methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 391.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-2-pyridinyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 66679037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).