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

C21H18FN5O — CID 26744762

IUPAC5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C21H18FN5O/c22-16-8-6-14(7-9-16)11-27-12-18-17(23-13-24-18)10-19(27)21-25-20(26-28-21)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2,(H,23,24)/t19-/m0/s1
InChIKeyDPOHSTAAASXCFE-IBGZPJMESA-N
MW375.41 g/mol
LogP3.90
Rot. Bonds4

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

5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 26744762) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-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-phenyl-1,2,4-oxadiazole
PubChem CID26744762
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C21H18FN5O/c22-16-8-6-14(7-9-16)11-27-12-18-17(23-13-24-18)10-19(27)21-25-20(26-28-21)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2,(H,23,24)/t19-/m0/s1
InChIKeyDPOHSTAAASXCFE-IBGZPJMESA-N
XLogP3.90
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-phenyl-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-phenyl-1,2,4-oxadiazole (CID 26744762) is 5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-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-phenyl-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-phenyl-1,2,4-oxadiazole is Fc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)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-phenyl-1,2,4-oxadiazole?
The InChIKey is DPOHSTAAASXCFE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18FN5O/c22-16-8-6-14(7-9-16)11-27-12-18-17(23-13-24-18)10-19(27)21-25-20(26-28-21)15-4-2-1-3-5-15/h1-9,13,19H,10-12H2,(H,23,24)/t19-/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-phenyl-1,2,4-oxadiazole?
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 375.41 g/mol, XLogP of 3.90, 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-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 26744762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).