9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

C29H27N3O3 — CID 171959947

IUPAC9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C2CCC1CC(O)(c1cnc3ccccn13)C2
InChIInChI=1S/C29H27N3O3/c33-28(35-18-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25)32-19-12-13-20(32)16-29(34,15-19)26-17-30-27-11-5-6-14-31(26)27/h1-11,14,17,19-20,25,34H,12-13,15-16,18H2
InChIKeyUZTQTIKFRINRKJ-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.10
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171959947) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171959947
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1C2CCC1CC(O)(c1cnc3ccccn13)C2
InChIInChI=1S/C29H27N3O3/c33-28(35-18-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25)32-19-12-13-20(32)16-29(34,15-19)26-17-30-27-11-5-6-14-31(26)27/h1-11,14,17,19-20,25,34H,12-13,15-16,18H2
InChIKeyUZTQTIKFRINRKJ-UHFFFAOYSA-N
XLogP5.10
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171959722
9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyrazin-3-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171959733
9H-fluoren-9-ylmethyl 3-hydroxy-3-pyrimidin-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171951815
9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945763
9H-fluoren-9-ylmethyl 3-hydroxy-3-(2-methoxypyrimidin-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171958090
9H-fluoren-9-ylmethyl 3-(2,6-dimethyl-4-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171957842
9H-fluoren-9-ylmethyl 3-hydroxy-3-pyrazolo[1,5-a]pyrimidin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171959797
9H-fluoren-9-ylmethyl 3-hydroxy-3-quinolin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956236
9H-fluoren-9-ylmethyl 3-(2,6-dimethoxyphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171955278
9H-fluoren-9-ylmethyl 3-hydroxy-3-isoquinolin-4-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956089
9H-fluoren-9-ylmethyl 3-hydroxy-3-naphthalen-1-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171956454
9H-fluoren-9-ylmethyl 3-hydroxy-3-[2-(trifluoromethyl)-3-pyridinyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171954488

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171959947) is 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1C2CCC1CC(O)(c1cnc3ccccn13)C2.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is UZTQTIKFRINRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-28(35-18-25-23-9-3-1-7-21(23)22-8-2-4-10-24(22)25)32-19-12-13-20(32)16-29(34,15-19)26-17-30-27-11-5-6-14-31(26)27/h1-11,14,17,19-20,25,34H,12-13,15-16,18H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 465.55 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171959947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).