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

C22H17F3N4O3 — CID 169164097

IUPAC[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1ocnc1C(F)(F)F)N1CCc2[nH]cnc2[C@H]1c1oc2ccccc2c1C1CC1
InChIInChI=1S/C22H17F3N4O3/c23-22(24,25)20-19(31-10-28-20)21(30)29-8-7-13-16(27-9-26-13)17(29)18-15(11-5-6-11)12-3-1-2-4-14(12)32-18/h1-4,9-11,17H,5-8H2,(H,26,27)/t17-/m0/s1
InChIKeyQITUKRVRQBGPOT-KRWDZBQOSA-N
MW442.40 g/mol
LogP4.83
Rot. Bonds3

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

[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (PubChem CID 169164097) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
PubChem CID169164097
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Name[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1ocnc1C(F)(F)F)N1CCc2[nH]cnc2[C@H]1c1oc2ccccc2c1C1CC1
InChIInChI=1S/C22H17F3N4O3/c23-22(24,25)20-19(31-10-28-20)21(30)29-8-7-13-16(27-9-26-13)17(29)18-15(11-5-6-11)12-3-1-2-4-14(12)32-18/h1-4,9-11,17H,5-8H2,(H,26,27)/t17-/m0/s1
InChIKeyQITUKRVRQBGPOT-KRWDZBQOSA-N
XLogP4.83
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(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
(4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 170332255
[(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
[(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
[(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-(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
(E)-1-[4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-4,4-difluoro-2-(3-hydroxybut-1-en-2-yloxy)-3-methylbut-2-en-1-one;ethane
CID 169163663
(4-cyclopropyl-1,3-oxazol-5-yl)-[4-[7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170333455
[2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169166833
[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
[(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-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169167537

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (CID 169164097) is [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is O=C(c1ocnc1C(F)(F)F)N1CCc2[nH]cnc2[C@H]1c1oc2ccccc2c1C1CC1.
What is the InChIKey of [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The InChIKey is QITUKRVRQBGPOT-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c23-22(24,25)20-19(31-10-28-20)21(30)29-8-7-13-16(27-9-26-13)17(29)18-15(11-5-6-11)12-3-1-2-4-14(12)32-18/h1-4,9-11,17H,5-8H2,(H,26,27)/t17-/m0/s1.
What are the key properties of [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
[(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone has a molecular weight of 442.40 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(3-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 169164097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).