1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone

C20H15ClN4OS — CID 2745487

IUPAC1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone
SMILESCc1nc2ccccn2c1-c1ccnc(SCC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H15ClN4OS/c1-13-19(25-11-3-2-4-18(25)23-13)16-9-10-22-20(24-16)27-12-17(26)14-5-7-15(21)8-6-14/h2-11H,12H2,1H3
InChIKeyMLYXGXVYKXICMC-UHFFFAOYSA-N
MW394.89 g/mol
LogP4.73
Rot. Bonds5

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

1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone (PubChem CID 2745487) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone
PubChem CID2745487
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone
SMILESCc1nc2ccccn2c1-c1ccnc(SCC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H15ClN4OS/c1-13-19(25-11-3-2-4-18(25)23-13)16-9-10-22-20(24-16)27-12-17(26)14-5-7-15(21)8-6-14/h2-11H,12H2,1H3
InChIKeyMLYXGXVYKXICMC-UHFFFAOYSA-N
XLogP4.73
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone (CID 2745487) is 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone is Cc1nc2ccccn2c1-c1ccnc(SCC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone?
The InChIKey is MLYXGXVYKXICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c1-13-19(25-11-3-2-4-18(25)23-13)16-9-10-22-20(24-16)27-12-17(26)14-5-7-15(21)8-6-14/h2-11H,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone?
1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone has a molecular weight of 394.89 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]sulfanylethanone is sourced from PubChem (CID 2745487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).