5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid

C22H25N5O4 — CID 26745117

IUPAC5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(Cc2ccccc2)no1
InChIInChI=1S/C22H25N5O4/c1-22(2,11-20(29)30)10-19(28)27-12-16-15(23-13-24-16)9-17(27)21-25-18(26-31-21)8-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3,(H,23,24)(H,29,30)/t17-/m0/s1
InChIKeySXIPSEKIJRFUQA-KRWDZBQOSA-N
MW423.47 g/mol
LogP2.90
Rot. Bonds7

About 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid

5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 26745117) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID26745117
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(Cc2ccccc2)no1
InChIInChI=1S/C22H25N5O4/c1-22(2,11-20(29)30)10-19(28)27-12-16-15(23-13-24-16)9-17(27)21-25-18(26-31-21)8-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3,(H,23,24)(H,29,30)/t17-/m0/s1
InChIKeySXIPSEKIJRFUQA-KRWDZBQOSA-N
XLogP2.90
TPSA125.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid (CID 26745117) is 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(Cc2ccccc2)no1.
What is the InChIKey of 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is SXIPSEKIJRFUQA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-22(2,11-20(29)30)10-19(28)27-12-16-15(23-13-24-16)9-17(27)21-25-18(26-31-21)8-14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3,(H,23,24)(H,29,30)/t17-/m0/s1.
What are the key properties of 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 423.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-6-(3-benzyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 26745117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).