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

C24H18FN5O3 — CID 169164514

IUPAC[(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2c(F)cccc2o1
InChIInChI=1S/C24H18FN5O3/c1-13-22(33-23(29-13)17-6-2-3-9-26-17)24(31)30-10-8-16-20(28-12-27-16)21(30)19-11-14-15(25)5-4-7-18(14)32-19/h2-7,9,11-12,21H,8,10H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyUQNQIYFUEAZLRF-OAQYLSRUSA-N
MW443.44 g/mol
LogP4.44
Rot. Bonds3

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

[(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 169164514) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID169164514
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC Name[(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccn2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2c(F)cccc2o1
InChIInChI=1S/C24H18FN5O3/c1-13-22(33-23(29-13)17-6-2-3-9-26-17)24(31)30-10-8-16-20(28-12-27-16)21(30)19-11-14-15(25)5-4-7-18(14)32-19/h2-7,9,11-12,21H,8,10H2,1H3,(H,27,28)/t21-/m1/s1
InChIKeyUQNQIYFUEAZLRF-OAQYLSRUSA-N
XLogP4.44
TPSA101.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(4S)-4-cinnolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169166643
[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
CID 169164327
(5-chloro-1,3-thiazol-2-yl)-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169164287
[(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 177297275
[(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
[(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
[(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
[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163860
[4-(difluoromethyl)-2-pyridin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863164
[(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
[(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
[(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

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone (CID 169164514) is [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone is Cc1nc(-c2ccccn2)oc1C(=O)N1CCc2[nH]cnc2[C@H]1c1cc2c(F)cccc2o1.
What is the InChIKey of [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is UQNQIYFUEAZLRF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-13-22(33-23(29-13)17-6-2-3-9-26-17)24(31)30-10-8-16-20(28-12-27-16)21(30)19-11-14-15(25)5-4-7-18(14)32-19/h2-7,9,11-12,21H,8,10H2,1H3,(H,27,28)/t21-/m1/s1.
What are the key properties of [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone?
[(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 443.44 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 169164514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).