[4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C17H15FN4O2 — CID 16740901

IUPAC[4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3[nH]cnc3C2c2ccccc2F)no1
InChIInChI=1S/C17H15FN4O2/c1-10-8-14(21-24-10)17(23)22-7-6-13-15(20-9-19-13)16(22)11-4-2-3-5-12(11)18/h2-5,8-9,16H,6-7H2,1H3,(H,19,20)
InChIKeyYDRBJYHMYRFQGN-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.63
Rot. Bonds2

About [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 16740901) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID16740901
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name[4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3[nH]cnc3C2c2ccccc2F)no1
InChIInChI=1S/C17H15FN4O2/c1-10-8-14(21-24-10)17(23)22-7-6-13-15(20-9-19-13)16(22)11-4-2-3-5-12(11)18/h2-5,8-9,16H,6-7H2,1H3,(H,19,20)
InChIKeyYDRBJYHMYRFQGN-UHFFFAOYSA-N
XLogP2.63
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 16740901) is [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCc3[nH]cnc3C2c2ccccc2F)no1.
What is the InChIKey of [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is YDRBJYHMYRFQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-10-8-14(21-24-10)17(23)22-7-6-13-15(20-9-19-13)16(22)11-4-2-3-5-12(11)18/h2-5,8-9,16H,6-7H2,1H3,(H,19,20).
What are the key properties of [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 326.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 16740901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).