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

C21H20N6O2 — CID 26744806

IUPAC5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C21H20N6O2/c1-28-15-7-5-14(6-8-15)11-27-12-18-17(23-13-24-18)10-19(27)21-25-20(26-29-21)16-4-2-3-9-22-16/h2-9,13,19H,10-12H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyQSPKWQQXBXJWOP-IBGZPJMESA-N
MW388.43 g/mol
LogP3.16
Rot. Bonds5

About 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

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 (PubChem CID 26744806) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID26744806
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name5-[(6S)-5-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCOc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C21H20N6O2/c1-28-15-7-5-14(6-8-15)11-27-12-18-17(23-13-24-18)10-19(27)21-25-20(26-29-21)16-4-2-3-9-22-16/h2-9,13,19H,10-12H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyQSPKWQQXBXJWOP-IBGZPJMESA-N
XLogP3.16
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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-pyridin-2-yl-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-pyridin-2-yl-1,2,4-oxadiazole (CID 26744806) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccn3)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-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is QSPKWQQXBXJWOP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N6O2/c1-28-15-7-5-14(6-8-15)11-27-12-18-17(23-13-24-18)10-19(27)21-25-20(26-29-21)16-4-2-3-9-22-16/h2-9,13,19H,10-12H2,1H3,(H,23,24)/t19-/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-pyridin-2-yl-1,2,4-oxadiazole?
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 has a molecular weight of 388.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26744806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).