[(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

C22H22N4O4 — CID 169164383

IUPAC[(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
SMILESCc1nc(C(C)(C)O)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C22H22N4O4/c1-12-19(30-21(25-12)22(2,3)28)20(27)26-9-8-14-17(24-11-23-14)18(26)16-10-13-6-4-5-7-15(13)29-16/h4-7,10-11,18,28H,8-9H2,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyPAZHRRDRFTYWFV-GOSISDBHSA-N
MW406.44 g/mol
LogP3.47
Rot. Bonds3

About [(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

[(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 (PubChem CID 169164383) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID169164383
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name[(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
SMILESCc1nc(C(C)(C)O)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C22H22N4O4/c1-12-19(30-21(25-12)22(2,3)28)20(27)26-9-8-14-17(24-11-23-14)18(26)16-10-13-6-4-5-7-15(13)29-16/h4-7,10-11,18,28H,8-9H2,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyPAZHRRDRFTYWFV-GOSISDBHSA-N
XLogP3.47
TPSA108.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(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 with MolForge

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Related Compounds

[(4S)-4-(4,7-difluoro-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 177297496
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
[(4S)-4-(5-fluoro-3-methyl-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 169164149
[(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]-(3-chloro-1-methylpyrazol-5-yl)methanone
CID 177297654
[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297377
[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-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 170332100
[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-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 170332950
azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297484
[(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
[(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
[(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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1nc(C(C)(C)O)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1.
What is the InChIKey of [(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?
The InChIKey is PAZHRRDRFTYWFV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-12-19(30-21(25-12)22(2,3)28)20(27)26-9-8-14-17(24-11-23-14)18(26)16-10-13-6-4-5-7-15(13)29-16/h4-7,10-11,18,28H,8-9H2,1-3H3,(H,23,24)/t18-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 406.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 169164383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).