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

C26H23N5O — CID 26744908

IUPAC5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1
InChIInChI=1S/C26H23N5O/c1-17-6-8-18(9-7-17)14-31-15-23-22(27-16-28-23)13-24(31)26-29-25(30-32-26)21-11-10-19-4-2-3-5-20(19)12-21/h2-12,16,24H,13-15H2,1H3,(H,27,28)/t24-/m0/s1
InChIKeyIFMZKPMUSDKYKI-DEOSSOPVSA-N
MW421.50 g/mol
LogP5.22
Rot. Bonds4

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

5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole (PubChem CID 26744908) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
PubChem CID26744908
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1
InChIInChI=1S/C26H23N5O/c1-17-6-8-18(9-7-17)14-31-15-23-22(27-16-28-23)13-24(31)26-29-25(30-32-26)21-11-10-19-4-2-3-5-20(19)12-21/h2-12,16,24H,13-15H2,1H3,(H,27,28)/t24-/m0/s1
InChIKeyIFMZKPMUSDKYKI-DEOSSOPVSA-N
XLogP5.22
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 28961069
(6S)-N-(3-fluorophenyl)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 28961077
4-[[(6S)-6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 26744892
(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 25338823
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
N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline
CID 26744798
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
3-(4-chlorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744844
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 26744896
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 26744962
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 26744984

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole (CID 26744908) is 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole is Cc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1.
What is the InChIKey of 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole?
The InChIKey is IFMZKPMUSDKYKI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23N5O/c1-17-6-8-18(9-7-17)14-31-15-23-22(27-16-28-23)13-24(31)26-29-25(30-32-26)21-11-10-19-4-2-3-5-20(19)12-21/h2-12,16,24H,13-15H2,1H3,(H,27,28)/t24-/m0/s1.
What are the key properties of 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole?
5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole has a molecular weight of 421.50 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-5-[(4-methylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26744908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).