(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

C22H19ClN6O2 — CID 25338823

IUPAC(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
SMILESCc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C22H19ClN6O2/c1-13-2-8-16(9-3-13)26-22(30)29-11-18-17(24-12-25-18)10-19(29)21-27-20(28-31-21)14-4-6-15(23)7-5-14/h2-9,12,19H,10-11H2,1H3,(H,24,25)(H,26,30)/t19-/m0/s1
InChIKeyQOLKNWLOYSXGEW-IBGZPJMESA-N
MW434.89 g/mol
LogP4.75
Rot. Bonds3

About (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

(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 (PubChem CID 25338823) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID25338823
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name(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
SMILESCc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C22H19ClN6O2/c1-13-2-8-16(9-3-13)26-22(30)29-11-18-17(24-12-25-18)10-19(29)21-27-20(28-31-21)14-4-6-15(23)7-5-14/h2-9,12,19H,10-11H2,1H3,(H,24,25)(H,26,30)/t19-/m0/s1
InChIKeyQOLKNWLOYSXGEW-IBGZPJMESA-N
XLogP4.75
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 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
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-[(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
(S)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-p-tolyl-1,2,4-oxadiazole
CID 26745018
(4-fluorophenyl)-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 26745022
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of (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?
The InChIKey is QOLKNWLOYSXGEW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H19ClN6O2/c1-13-2-8-16(9-3-13)26-22(30)29-11-18-17(24-12-25-18)10-19(29)21-27-20(28-31-21)14-4-6-15(23)7-5-14/h2-9,12,19H,10-11H2,1H3,(H,24,25)(H,26,30)/t19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 434.89 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 25338823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).