2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one

C12H8F2N4O — CID 139344528

IUPAC2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cnc3ccc(C(F)F)cn23)[nH]1
InChIInChI=1S/C12H8F2N4O/c13-11(14)7-1-2-9-16-5-8(18(9)6-7)12-15-4-3-10(19)17-12/h1-6,11H,(H,15,17,19)
InChIKeyYUXPJXSMXFJIIH-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.02
Rot. Bonds2

About 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one

2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one (PubChem CID 139344528) has the molecular formula C12H8F2N4O and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one
PubChem CID139344528
Molecular FormulaC12H8F2N4O
Molecular Weight262.22 g/mol
Exact Mass262.07
IUPAC Name2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2cnc3ccc(C(F)F)cn23)[nH]1
InChIInChI=1S/C12H8F2N4O/c13-11(14)7-1-2-9-16-5-8(18(9)6-7)12-15-4-3-10(19)17-12/h1-6,11H,(H,15,17,19)
InChIKeyYUXPJXSMXFJIIH-UHFFFAOYSA-N
XLogP2.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 170957612
3-[4-(difluoromethyl)phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179303
2-(3-propylimidazol-4-yl)-1H-pyrimidin-6-one
CID 66142297
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 118164228
2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine;2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine
CID 157393674
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(3,3-dimethylpiperidin-4-yl)pyridin-2-amine
CID 169129916
6-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S,2S)-2-methylcyclopentyl]pyridin-2-amine
CID 170240897
2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 95732712
6-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1H-pyridin-2-one
CID 22032024
6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
CID 146710829
2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 43654623
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-(3-methylbutan-2-yl)-7H-purin-8-one
CID 56592814

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one (CID 139344528) is 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one is O=c1ccnc(-c2cnc3ccc(C(F)F)cn23)[nH]1.
What is the InChIKey of 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is YUXPJXSMXFJIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4O/c13-11(14)7-1-2-9-16-5-8(18(9)6-7)12-15-4-3-10(19)17-12/h1-6,11H,(H,15,17,19).
What are the key properties of 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one?
2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 262.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 139344528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).