1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one

C21H18ClFN4O — CID 24888656

IUPAC1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESCc1nc2c(NCc3ccc(F)cc3Cl)cc(-n3ccccc3=O)cn2c1C
InChIInChI=1S/C21H18ClFN4O/c1-13-14(2)27-12-17(26-8-4-3-5-20(26)28)10-19(21(27)25-13)24-11-15-6-7-16(23)9-18(15)22/h3-10,12,24H,11H2,1-2H3
InChIKeyUFWOHRJEMMPVKU-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.51
Rot. Bonds4

About 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one

1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one (PubChem CID 24888656) has the molecular formula C21H18ClFN4O and a molecular weight of 396.85 g/mol. Its IUPAC name is 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
PubChem CID24888656
Molecular FormulaC21H18ClFN4O
Molecular Weight396.85 g/mol
Exact Mass396.12
IUPAC Name1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESCc1nc2c(NCc3ccc(F)cc3Cl)cc(-n3ccccc3=O)cn2c1C
InChIInChI=1S/C21H18ClFN4O/c1-13-14(2)27-12-17(26-8-4-3-5-20(26)28)10-19(21(27)25-13)24-11-15-6-7-16(23)9-18(15)22/h3-10,12,24H,11H2,1-2H3
InChIKeyUFWOHRJEMMPVKU-UHFFFAOYSA-N
XLogP4.51
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The IUPAC name of 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one (CID 24888656) is 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one.
What is the SMILES notation for 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The canonical SMILES for 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one is Cc1nc2c(NCc3ccc(F)cc3Cl)cc(-n3ccccc3=O)cn2c1C.
What is the InChIKey of 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The InChIKey is UFWOHRJEMMPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O/c1-13-14(2)27-12-17(26-8-4-3-5-20(26)28)10-19(21(27)25-13)24-11-15-6-7-16(23)9-18(15)22/h3-10,12,24H,11H2,1-2H3.
What are the key properties of 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one has a molecular weight of 396.85 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2-chloro-4-fluorophenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one is sourced from PubChem (CID 24888656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).