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

C18H20FN5O — CID 26744962

IUPAC5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H]2Cc3nc[nH]c3CN2Cc2ccc(F)cc2)n1
InChIInChI=1S/C18H20FN5O/c1-11(2)17-22-18(25-23-17)16-7-14-15(21-10-20-14)9-24(16)8-12-3-5-13(19)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyFBLUPNXRUJCUHO-INIZCTEOSA-N
MW341.39 g/mol
LogP3.35
Rot. Bonds4

About 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

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 (PubChem CID 26744962) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID26744962
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc([C@@H]2Cc3nc[nH]c3CN2Cc2ccc(F)cc2)n1
InChIInChI=1S/C18H20FN5O/c1-11(2)17-22-18(25-23-17)16-7-14-15(21-10-20-14)9-24(16)8-12-3-5-13(19)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyFBLUPNXRUJCUHO-INIZCTEOSA-N
XLogP3.35
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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-propan-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-propan-2-yl-1,2,4-oxadiazole (CID 26744962) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1noc([C@@H]2Cc3nc[nH]c3CN2Cc2ccc(F)cc2)n1.
What is the InChIKey of 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?
The InChIKey is FBLUPNXRUJCUHO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-11(2)17-22-18(25-23-17)16-7-14-15(21-10-20-14)9-24(16)8-12-3-5-13(19)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3,(H,20,21)/t16-/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-propan-2-yl-1,2,4-oxadiazole?
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 has a molecular weight of 341.39 g/mol, XLogP of 3.35, 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-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26744962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).