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

C28H23N5O2 — CID 25338824

IUPAC[(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
SMILESCc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C28H23N5O2/c1-18-6-5-9-22(14-18)26-31-27(35-32-26)25-15-23-24(30-17-29-23)16-33(25)28(34)21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-14,17,25H,15-16H2,1H3,(H,29,30)/t25-/m0/s1
InChIKeySHIJDEYILNFNIX-VWLOTQADSA-N
MW461.53 g/mol
LogP5.37
Rot. Bonds4

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

[(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone (PubChem CID 25338824) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
PubChem CID25338824
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name[(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
SMILESCc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C28H23N5O2/c1-18-6-5-9-22(14-18)26-31-27(35-32-26)25-15-23-24(30-17-29-23)16-33(25)28(34)21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-14,17,25H,15-16H2,1H3,(H,29,30)/t25-/m0/s1
InChIKeySHIJDEYILNFNIX-VWLOTQADSA-N
XLogP5.37
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone (CID 25338824) is [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone is Cc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)c1.
What is the InChIKey of [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone?
The InChIKey is SHIJDEYILNFNIX-VWLOTQADSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-18-6-5-9-22(14-18)26-31-27(35-32-26)25-15-23-24(30-17-29-23)16-33(25)28(34)21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-14,17,25H,15-16H2,1H3,(H,29,30)/t25-/m0/s1.
What are the key properties of [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone?
[(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone has a molecular weight of 461.53 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 25338824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).