[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone

C21H15ClFN5O2 — CID 26745054

IUPAC[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C21H15ClFN5O2/c22-14-5-1-12(2-6-14)19-26-20(30-27-19)18-9-16-17(25-11-24-16)10-28(18)21(29)13-3-7-15(23)8-4-13/h1-8,11,18H,9-10H2,(H,24,25)/t18-/m0/s1
InChIKeyBVMGTLHJJPQVIH-SFHVURJKSA-N
MW423.84 g/mol
LogP4.19
Rot. Bonds3

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

[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone (PubChem CID 26745054) has the molecular formula C21H15ClFN5O2 and a molecular weight of 423.84 g/mol. Its IUPAC name is [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone
PubChem CID26745054
Molecular FormulaC21H15ClFN5O2
Molecular Weight423.84 g/mol
Exact Mass423.09
IUPAC Name[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C21H15ClFN5O2/c22-14-5-1-12(2-6-14)19-26-20(30-27-19)18-9-16-17(25-11-24-16)10-28(18)21(29)13-3-7-15(23)8-4-13/h1-8,11,18H,9-10H2,(H,24,25)/t18-/m0/s1
InChIKeyBVMGTLHJJPQVIH-SFHVURJKSA-N
XLogP4.19
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone (CID 26745054) is [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is BVMGTLHJJPQVIH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H15ClFN5O2/c22-14-5-1-12(2-6-14)19-26-20(30-27-19)18-9-16-17(25-11-24-16)10-28(18)21(29)13-3-7-15(23)8-4-13/h1-8,11,18H,9-10H2,(H,24,25)/t18-/m0/s1.
What are the key properties of [(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone?
[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 423.84 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 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]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 26745054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).