[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

C22H15FN6O3 — CID 169164368

IUPAC[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccccn2)o1)N1CCc2[nH]cnc2[C@@H]1c1oc2ccccc2c1F
InChIInChI=1S/C22H15FN6O3/c23-16-12-5-1-2-7-15(12)31-19(16)18-17-13(25-11-26-17)8-10-29(18)22(30)21-28-27-20(32-21)14-6-3-4-9-24-14/h1-7,9,11,18H,8,10H2,(H,25,26)/t18-/m1/s1
InChIKeyQGRGWXDDDJMCLC-GOSISDBHSA-N
MW430.40 g/mol
LogP3.53
Rot. Bonds3

About [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 169164368) has the molecular formula C22H15FN6O3 and a molecular weight of 430.40 g/mol. Its IUPAC name is [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID169164368
Molecular FormulaC22H15FN6O3
Molecular Weight430.40 g/mol
Exact Mass430.12
IUPAC Name[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccccn2)o1)N1CCc2[nH]cnc2[C@@H]1c1oc2ccccc2c1F
InChIInChI=1S/C22H15FN6O3/c23-16-12-5-1-2-7-15(12)31-19(16)18-17-13(25-11-26-17)8-10-29(18)22(30)21-28-27-20(32-21)14-6-3-4-9-24-14/h1-7,9,11,18H,8,10H2,(H,25,26)/t18-/m1/s1
InChIKeyQGRGWXDDDJMCLC-GOSISDBHSA-N
XLogP3.53
TPSA113.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone with MolForge

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Related Compounds

[(4R)-4-[3-(difluoromethyl)-1-benzofuran-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169163762
[(4R)-4-(7-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 169165161
[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 169164362
[2-(difluoromethyl)pyrazol-3-yl]-[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163763
[(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169164360
[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 170333741
[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169164442
(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)-[4-[4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174213746
[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-fluoropropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169163934
(5-tert-butyl-1,3,4-oxadiazol-2-yl)-[(4R)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169164291
[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863180
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(3-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 177297620

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 169164368) is [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(-c2ccccn2)o1)N1CCc2[nH]cnc2[C@@H]1c1oc2ccccc2c1F.
What is the InChIKey of [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is QGRGWXDDDJMCLC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H15FN6O3/c23-16-12-5-1-2-7-15(12)31-19(16)18-17-13(25-11-26-17)8-10-29(18)22(30)21-28-27-20(32-21)14-6-3-4-9-24-14/h1-7,9,11,18H,8,10H2,(H,25,26)/t18-/m1/s1.
What are the key properties of [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
[(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 430.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 169164368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).