4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

C12H10F3N5O2 — CID 54585905

IUPAC4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)no1
InChIInChI=1S/C12H10F3N5O2/c1-5-2-6(19-22-5)4-20-7-3-8(12(13,14)15)17-10(16)9(7)18-11(20)21/h2-3H,4H2,1H3,(H2,16,17)(H,18,21)
InChIKeyGGDKZQAZCLVGRA-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.67
Rot. Bonds2

About 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 54585905) has the molecular formula C12H10F3N5O2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID54585905
Molecular FormulaC12H10F3N5O2
Molecular Weight313.24 g/mol
Exact Mass313.08
IUPAC Name4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1cc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)no1
InChIInChI=1S/C12H10F3N5O2/c1-5-2-6(19-22-5)4-20-7-3-8(12(13,14)15)17-10(16)9(7)18-11(20)21/h2-3H,4H2,1H3,(H2,16,17)(H,18,21)
InChIKeyGGDKZQAZCLVGRA-UHFFFAOYSA-N
XLogP1.67
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 54585905) is 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is Cc1cc(Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)no1.
What is the InChIKey of 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is GGDKZQAZCLVGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2/c1-5-2-6(19-22-5)4-20-7-3-8(12(13,14)15)17-10(16)9(7)18-11(20)21/h2-3H,4H2,1H3,(H2,16,17)(H,18,21).
What are the key properties of 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 313.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 54585905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).