3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine

C19H15ClN4S — CID 2745488

IUPAC3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccccn2c1-c1ccnc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN4S/c1-13-18(24-11-3-2-4-17(24)22-13)16-9-10-21-19(23-16)25-12-14-5-7-15(20)8-6-14/h2-11H,12H2,1H3
InChIKeyCIVIUEATLQYLCR-UHFFFAOYSA-N
MW366.88 g/mol
LogP5.05
Rot. Bonds4

About 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine

3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine (PubChem CID 2745488) has the molecular formula C19H15ClN4S and a molecular weight of 366.88 g/mol. Its IUPAC name is 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine
PubChem CID2745488
Molecular FormulaC19H15ClN4S
Molecular Weight366.88 g/mol
Exact Mass366.07
IUPAC Name3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccccn2c1-c1ccnc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN4S/c1-13-18(24-11-3-2-4-17(24)22-13)16-9-10-21-19(23-16)25-12-14-5-7-15(20)8-6-14/h2-11H,12H2,1H3
InChIKeyCIVIUEATLQYLCR-UHFFFAOYSA-N
XLogP5.05
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.88
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine (CID 2745488) is 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine is Cc1nc2ccccn2c1-c1ccnc(SCc2ccc(Cl)cc2)n1.
What is the InChIKey of 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine?
The InChIKey is CIVIUEATLQYLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4S/c1-13-18(24-11-3-2-4-17(24)22-13)16-9-10-21-19(23-16)25-12-14-5-7-15(20)8-6-14/h2-11H,12H2,1H3.
What are the key properties of 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine?
3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine has a molecular weight of 366.88 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 2745488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).