4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one

C22H19ClN4O2 — CID 121386280

IUPAC4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one
SMILESCc1c(C2CC2)nc2ncc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cn12
InChIInChI=1S/C22H19ClN4O2/c1-14-21(16-4-5-16)25-22-24-11-18(12-27(14)22)26-9-8-19(10-20(26)28)29-13-15-2-6-17(23)7-3-15/h2-3,6-12,16H,4-5,13H2,1H3
InChIKeyZOZXJNBNCUQRMU-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.30
Rot. Bonds5

About 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one

4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one (PubChem CID 121386280) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one
PubChem CID121386280
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one
SMILESCc1c(C2CC2)nc2ncc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cn12
InChIInChI=1S/C22H19ClN4O2/c1-14-21(16-4-5-16)25-22-24-11-18(12-27(14)22)26-9-8-19(10-20(26)28)29-13-15-2-6-17(23)7-3-15/h2-3,6-12,16H,4-5,13H2,1H3
InChIKeyZOZXJNBNCUQRMU-UHFFFAOYSA-N
XLogP4.30
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one (CID 121386280) is 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one is Cc1c(C2CC2)nc2ncc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cn12.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one?
The InChIKey is ZOZXJNBNCUQRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-14-21(16-4-5-16)25-22-24-11-18(12-27(14)22)26-9-8-19(10-20(26)28)29-13-15-2-6-17(23)7-3-15/h2-3,6-12,16H,4-5,13H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one?
4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one has a molecular weight of 406.87 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2-one is sourced from PubChem (CID 121386280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).