2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

C15H14N4O2S — CID 3000168

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESCc1cc(C)n2cc(CSc3ncccc3C(=O)O)nc2n1
InChIInChI=1S/C15H14N4O2S/c1-9-6-10(2)19-7-11(18-15(19)17-9)8-22-13-12(14(20)21)4-3-5-16-13/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeySCHSTYMQIAXRAL-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.73
Rot. Bonds4

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 3000168) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
PubChem CID3000168
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESCc1cc(C)n2cc(CSc3ncccc3C(=O)O)nc2n1
InChIInChI=1S/C15H14N4O2S/c1-9-6-10(2)19-7-11(18-15(19)17-9)8-22-13-12(14(20)21)4-3-5-16-13/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeySCHSTYMQIAXRAL-UHFFFAOYSA-N
XLogP2.73
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(Methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 1482206
2-[(5-Methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 3508614
2-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4091566
2-[(6-Bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4225516
2-Methylimidazo(1,2-a)pyridine-6-carboxylic acid
CID 20072829
2-(2-ethyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-methylnicotinic acid
CID 56744646
2-[[2-Butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylsulfanyl]pyridine-3-carboxylic acid
CID 44211555
3-Methylimidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride
CID 145874257
2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid
CID 8006541
5-(2-Fluoro-4-methylsulfanyl-phenylamino)-imidazo[1,5-a]pyridine-6-carboxylic acid
CID 59140135
8-(2-Fluoro-4-methylsulfanylanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 67233809
2-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridine-3-carboxylic acid
CID 67286754

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid (CID 3000168) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is Cc1cc(C)n2cc(CSc3ncccc3C(=O)O)nc2n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is SCHSTYMQIAXRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-6-10(2)19-7-11(18-15(19)17-9)8-22-13-12(14(20)21)4-3-5-16-13/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 314.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 3000168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).