azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C18H18N4O2 — CID 177297484

IUPACazetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(N1CCC1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C18H18N4O2/c23-18(21-7-3-8-21)22-9-6-13-16(20-11-19-13)17(22)15-10-12-4-1-2-5-14(12)24-15/h1-2,4-5,10-11,17H,3,6-9H2,(H,19,20)/t17-/m1/s1
InChIKeyPYWVECZZAUQZKW-QGZVFWFLSA-N
MW322.37 g/mol
LogP2.93
Rot. Bonds1

About azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 177297484) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID177297484
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Nameazetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(N1CCC1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C18H18N4O2/c23-18(21-7-3-8-21)22-9-6-13-16(20-11-19-13)17(22)15-10-12-4-1-2-5-14(12)24-15/h1-2,4-5,10-11,17H,3,6-9H2,(H,19,20)/t17-/m1/s1
InChIKeyPYWVECZZAUQZKW-QGZVFWFLSA-N
XLogP2.93
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one
CID 169164484
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,4-dimethylpentan-1-one
CID 169164212
[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-chloro-1-methylpyrazol-5-yl)methanone
CID 177297654
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-chloro-1,3-thiazol-2-yl)methanone
CID 169164306
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164258
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169164383
(4R)-4-(1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 174058699
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-cyclopropyl-4-(difluoromethyl)-1,3-oxazol-5-yl]methanone
CID 177297452
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 177297408
[(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
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
CID 169164175

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 177297484) is azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(N1CCC1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1.
What is the InChIKey of azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is PYWVECZZAUQZKW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(21-7-3-8-21)22-9-6-13-16(20-11-19-13)17(22)15-10-12-4-1-2-5-14(12)24-15/h1-2,4-5,10-11,17H,3,6-9H2,(H,19,20)/t17-/m1/s1.
What are the key properties of azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 177297484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).