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

C20H17BrN4O2S — CID 121386240

IUPAC4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1c(C2CC2)nc2ccc(-n3ccc(OCc4csc(Br)n4)cc3=O)cn12
InChIInChI=1S/C20H17BrN4O2S/c1-12-19(13-2-3-13)23-17-5-4-15(9-25(12)17)24-7-6-16(8-18(24)26)27-10-14-11-28-20(21)22-14/h4-9,11,13H,2-3,10H2,1H3
InChIKeyCHZTUAWCFXXNNS-UHFFFAOYSA-N
MW457.35 g/mol
LogP4.47
Rot. Bonds5

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

4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (PubChem CID 121386240) has the molecular formula C20H17BrN4O2S and a molecular weight of 457.35 g/mol. Its IUPAC name is 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
PubChem CID121386240
Molecular FormulaC20H17BrN4O2S
Molecular Weight457.35 g/mol
Exact Mass456.03
IUPAC Name4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
SMILESCc1c(C2CC2)nc2ccc(-n3ccc(OCc4csc(Br)n4)cc3=O)cn12
InChIInChI=1S/C20H17BrN4O2S/c1-12-19(13-2-3-13)23-17-5-4-15(9-25(12)17)24-7-6-16(8-18(24)26)27-10-14-11-28-20(21)22-14/h4-9,11,13H,2-3,10H2,1H3
InChIKeyCHZTUAWCFXXNNS-UHFFFAOYSA-N
XLogP4.47
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The IUPAC name of 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one (CID 121386240) is 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one.
What is the SMILES notation for 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The canonical SMILES for 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4csc(Br)n4)cc3=O)cn12.
What is the InChIKey of 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
The InChIKey is CHZTUAWCFXXNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2S/c1-12-19(13-2-3-13)23-17-5-4-15(9-25(12)17)24-7-6-16(8-18(24)26)27-10-14-11-28-20(21)22-14/h4-9,11,13H,2-3,10H2,1H3.
What are the key properties of 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one?
4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one has a molecular weight of 457.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one is sourced from PubChem (CID 121386240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).