benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate

C23H25N3O3 — CID 171959909

IUPACbenzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESO=C(OCc1ccccc1)N1C2CCCC1CC(O)(c1ccn3ccnc3c1)C2
InChIInChI=1S/C23H25N3O3/c27-22(29-16-17-5-2-1-3-6-17)26-19-7-4-8-20(26)15-23(28,14-19)18-9-11-25-12-10-24-21(25)13-18/h1-3,5-6,9-13,19-20,28H,4,7-8,14-16H2
InChIKeyUZZBAHFJHBGSQP-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.88
Rot. Bonds3

About benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate

benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171959909) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Namebenzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171959909
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namebenzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESO=C(OCc1ccccc1)N1C2CCCC1CC(O)(c1ccn3ccnc3c1)C2
InChIInChI=1S/C23H25N3O3/c27-22(29-16-17-5-2-1-3-6-17)26-19-7-4-8-20(26)15-23(28,14-19)18-9-11-25-12-10-24-21(25)13-18/h1-3,5-6,9-13,19-20,28H,4,7-8,14-16H2
InChIKeyUZZBAHFJHBGSQP-UHFFFAOYSA-N
XLogP3.88
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate with MolForge

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Related Compounds

benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-6-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171959973
benzyl 3-hydroxy-3-(3,4,5-trifluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171962455
benzyl 3-hydroxy-3-naphthalen-2-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956442
benzyl 3-hydroxy-3-(5-methyl-3-pyridinyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171964585
benzyl 3-(9H-fluoren-2-yl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171953531
benzyl 3-[6-(dimethylamino)-3-pyridinyl]-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171961056
benzyl 3-hydroxy-3-(4-propylphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171962060
benzyl 3-(3-ethylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171958647
benzyl 3-hydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171954525
benzyl 3-hydroxy-3-pyrimidin-5-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171951838
benzyl 3-hydroxy-3-(6-methoxypyridazin-3-yl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958077
benzyl 3-(2,6-dimethoxyphenyl)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171955290

Frequently Asked Questions

What is the IUPAC name of benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171959909) is benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate is O=C(OCc1ccccc1)N1C2CCCC1CC(O)(c1ccn3ccnc3c1)C2.
What is the InChIKey of benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is UZZBAHFJHBGSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(29-16-17-5-2-1-3-6-17)26-19-7-4-8-20(26)15-23(28,14-19)18-9-11-25-12-10-24-21(25)13-18/h1-3,5-6,9-13,19-20,28H,4,7-8,14-16H2.
What are the key properties of benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate?
benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171959909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).