[(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate

C28H24N2O5 — CID 11798500

IUPAC[(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate
SMILESO=C(OC1Cn2cncc2[C@@H](OCc2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O5/c31-27(21-12-6-2-7-13-21)34-24-17-30-19-29-16-23(30)25(33-18-20-10-4-1-5-11-20)26(24)35-28(32)22-14-8-3-9-15-22/h1-16,19,24-26H,17-18H2/t24?,25-,26+/m1/s1
InChIKeyYFJYZSNFVTVFPG-KBEVGPIXSA-N
MW468.51 g/mol
LogP4.61
Rot. Bonds7

About [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate

[(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate (PubChem CID 11798500) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate.

Molecular Properties

Compound Name[(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate
PubChem CID11798500
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC Name[(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate
SMILESO=C(OC1Cn2cncc2[C@@H](OCc2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24N2O5/c31-27(21-12-6-2-7-13-21)34-24-17-30-19-29-16-23(30)25(33-18-20-10-4-1-5-11-20)26(24)35-28(32)22-14-8-3-9-15-22/h1-16,19,24-26H,17-18H2/t24?,25-,26+/m1/s1
InChIKeyYFJYZSNFVTVFPG-KBEVGPIXSA-N
XLogP4.61
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(6R,7R,8R)-6,7,8-tris(phenylmethoxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 15720249
[(1S,2S,3R,4S,5S,6R)-2-fluoro-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] benzoate
CID 11764800
[(2S,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phenylmethoxy)cyclohexyl] benzoate
CID 71612996
[(2S,6S)-2,4,6-tris(phenylmethoxy)cyclohexyl] benzoate
CID 102168602
[(2S,3S,5S,6R)-3,4,5-trihydroxy-2,6-bis(phenylmethoxy)cyclohexyl] benzoate
CID 10863559
[(3R,4R,5R,6R)-4,5-dibenzoyloxy-6-phenylmethoxyoxan-3-yl] benzoate
CID 45050684
[(1S,2S,3R,4R,6S)-3-benzoyloxy-2,5-dihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] 4-phenylbenzoate
CID 177482281
[(1R,2S,3R,5S)-2,3,5-tris(phenylmethoxy)cyclohexyl] benzoate
CID 102168606
[(1S,2S,5R,6R)-2,6-dimethyl-5-phenylmethoxycyclohex-3-en-1-yl] benzoate
CID 10854364
(1,2,2,6,6-pentamethyl-3-phenylmethoxypiperidin-4-yl) benzoate
CID 67876077
[(3S,4R,5R,6R)-4,5-dihydroxy-6-phenylmethoxyoxan-3-yl] benzoate
CID 102458437
[(1S,2S,3R,4S,5R,6S)-2,3,5-trihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] 4-phenylbenzoate
CID 101358027

Frequently Asked Questions

What is the IUPAC name of [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate?
The IUPAC name of [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate (CID 11798500) is [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate.
What is the SMILES notation for [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate?
The canonical SMILES for [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate is O=C(OC1Cn2cncc2[C@@H](OCc2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate?
The InChIKey is YFJYZSNFVTVFPG-KBEVGPIXSA-N. The full InChI is InChI=1S/C28H24N2O5/c31-27(21-12-6-2-7-13-21)34-24-17-30-19-29-16-23(30)25(33-18-20-10-4-1-5-11-20)26(24)35-28(32)22-14-8-3-9-15-22/h1-16,19,24-26H,17-18H2/t24?,25-,26+/m1/s1.
What are the key properties of [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate?
[(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate has a molecular weight of 468.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7S,8R)-7-benzoyloxy-8-phenylmethoxy-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl] benzoate is sourced from PubChem (CID 11798500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).