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

C19H12F4N4O3 — CID 177297435

IUPAC[(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1ocnc1C(F)F)N1CCc2[nH]cnc2[C@@H]1c1cc2c(F)ccc(F)c2o1
InChIInChI=1S/C19H12F4N4O3/c20-9-1-2-10(21)16-8(9)5-12(30-16)15-13-11(24-6-25-13)3-4-27(15)19(28)17-14(18(22)23)26-7-29-17/h1-2,5-7,15,18H,3-4H2,(H,24,25)/t15-/m0/s1
InChIKeyNFJJFLHAQZKFDU-HNNXBMFYSA-N
MW420.32 g/mol
LogP4.15
Rot. Bonds3

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

[(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone (PubChem CID 177297435) has the molecular formula C19H12F4N4O3 and a molecular weight of 420.32 g/mol. Its IUPAC name is [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone
PubChem CID177297435
Molecular FormulaC19H12F4N4O3
Molecular Weight420.32 g/mol
Exact Mass420.08
IUPAC Name[(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1ocnc1C(F)F)N1CCc2[nH]cnc2[C@@H]1c1cc2c(F)ccc(F)c2o1
InChIInChI=1S/C19H12F4N4O3/c20-9-1-2-10(21)16-8(9)5-12(30-16)15-13-11(24-6-25-13)3-4-27(15)19(28)17-14(18(22)23)26-7-29-17/h1-2,5-7,15,18H,3-4H2,(H,24,25)/t15-/m0/s1
InChIKeyNFJJFLHAQZKFDU-HNNXBMFYSA-N
XLogP4.15
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(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
[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163258
[(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-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169163691
[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(3-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165807
[4-(difluoromethyl)-1,3-oxazol-5-yl]-[(4S)-4-(5-methoxy-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163481
[(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
[(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-(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
[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174213740
(4-cyclopropyl-1,3-oxazol-5-yl)-[(4R)-4-[7-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169165842
(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

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone (CID 177297435) is [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone is O=C(c1ocnc1C(F)F)N1CCc2[nH]cnc2[C@@H]1c1cc2c(F)ccc(F)c2o1.
What is the InChIKey of [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone?
The InChIKey is NFJJFLHAQZKFDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H12F4N4O3/c20-9-1-2-10(21)16-8(9)5-12(30-16)15-13-11(24-6-25-13)3-4-27(15)19(28)17-14(18(22)23)26-7-29-17/h1-2,5-7,15,18H,3-4H2,(H,24,25)/t15-/m0/s1.
What are the key properties of [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone?
[(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone has a molecular weight of 420.32 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(4,7-difluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 177297435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).