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

C20H17FN6O — CID 26744812

IUPAC5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C20H17FN6O/c21-14-6-4-13(5-7-14)10-27-11-17-16(23-12-24-17)9-18(27)20-25-19(26-28-20)15-3-1-2-8-22-15/h1-8,12,18H,9-11H2,(H,23,24)/t18-/m0/s1
InChIKeyVWUXFNVEPAJNAS-SFHVURJKSA-N
MW376.40 g/mol
LogP3.29
Rot. Bonds4

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

5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 26744812) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 5-[(6S)-5-[(4-fluorophenyl)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-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID26744812
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESFc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C20H17FN6O/c21-14-6-4-13(5-7-14)10-27-11-17-16(23-12-24-17)9-18(27)20-25-19(26-28-20)15-3-1-2-8-22-15/h1-8,12,18H,9-11H2,(H,23,24)/t18-/m0/s1
InChIKeyVWUXFNVEPAJNAS-SFHVURJKSA-N
XLogP3.29
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(6S)-5-[(4-fluorophenyl)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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Related Compounds

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
3-pyrazin-2-yl-5-[(6S)-5-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744742
5-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 74507576
5-[(6S)-5-[(4-nitrophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26744732
1-[(4-fluorophenyl)methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506631
5-[5-(3-phenylpropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 74507497
4-[[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 74507577
5-[(6S)-5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 26744932
3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 74507574
4-[[(6S)-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 26744954
4-[[6-[3-[3-[hydroxy(oxido)amino]phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 163140079
3-benzyl-5-[(6S)-5-[(4-methylsulfonylphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26745181

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-5-[(4-fluorophenyl)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-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 26744812) is 5-[(6S)-5-[(4-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is Fc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is VWUXFNVEPAJNAS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-14-6-4-13(5-7-14)10-27-11-17-16(23-12-24-17)9-18(27)20-25-19(26-28-20)15-3-1-2-8-22-15/h1-8,12,18H,9-11H2,(H,23,24)/t18-/m0/s1.
What are the key properties of 5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(6S)-5-[(4-fluorophenyl)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 376.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-5-[(4-fluorophenyl)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 26744812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).