5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C23H20F3N5O2 — CID 26744772

IUPAC5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1
InChIInChI=1S/C23H20F3N5O2/c1-32-17-8-2-14(3-9-17)11-31-12-19-18(27-13-28-19)10-20(31)22-29-21(30-33-22)15-4-6-16(7-5-15)23(24,25)26/h2-9,13,20H,10-12H2,1H3,(H,27,28)/t20-/m0/s1
InChIKeyMMJSNWXPECZLIP-FQEVSTJZSA-N
MW455.44 g/mol
LogP4.79
Rot. Bonds5

About 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 26744772) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID26744772
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1
InChIInChI=1S/C23H20F3N5O2/c1-32-17-8-2-14(3-9-17)11-31-12-19-18(27-13-28-19)10-20(31)22-29-21(30-33-22)15-4-6-16(7-5-15)23(24,25)26/h2-9,13,20H,10-12H2,1H3,(H,27,28)/t20-/m0/s1
InChIKeyMMJSNWXPECZLIP-FQEVSTJZSA-N
XLogP4.79
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dipropyl-8-{4-[5-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-3,7-dihydro-purine-2,6-dione
CID 21958541
5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 26745040
1-[(2R)-2-[3-[4-(1H-imidazol-5-yl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687418
(4-phenyl-1H-imidazol-5-yl)-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 117870213
(6S)-N-benzyl-5-[[3-(trifluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
CID 25338874
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-1,2,4-oxadiazole
CID 26744762
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 26744774
5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 26744786
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 26744800
5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26744806
(6S)-N-(3-fluorophenyl)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745032
(6S)-N-(4-chlorophenyl)-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745044

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 26744772) is 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is COc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1.
What is the InChIKey of 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is MMJSNWXPECZLIP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-32-17-8-2-14(3-9-17)11-31-12-19-18(27-13-28-19)10-20(31)22-29-21(30-33-22)15-4-6-16(7-5-15)23(24,25)26/h2-9,13,20H,10-12H2,1H3,(H,27,28)/t20-/m0/s1.
What are the key properties of 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 455.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 26744772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).