9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C30H27N3O3 — CID 171945763

IUPAC9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(c1cnc2ccccn12)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27N3O3/c34-29(27-17-31-28-11-5-6-14-32(27)28)19-15-20-12-13-21(16-19)33(20)30(35)36-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-11,14,17,19-21,26H,12-13,15-16,18H2
InChIKeyQBRQJBOQFNYWPQ-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.71
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171945763) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171945763
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(c1cnc2ccccn12)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27N3O3/c34-29(27-17-31-28-11-5-6-14-32(27)28)19-15-20-12-13-21(16-19)33(20)30(35)36-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-11,14,17,19-21,26H,12-13,15-16,18H2
InChIKeyQBRQJBOQFNYWPQ-UHFFFAOYSA-N
XLogP5.71
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl 3-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171959947
9H-fluoren-9-ylmethyl 3-(2-methylpyrimidine-5-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950703
9H-fluoren-9-ylmethyl 3-(1-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937553
9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945713
9H-fluoren-9-ylmethyl 3-but-3-ynoyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938954
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937278
9H-fluoren-9-ylmethyl 3-(3-cyanopyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944020
9H-fluoren-9-ylmethyl 3-(4-methoxybenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944193
9H-fluoren-9-ylmethyl 3-(1-propylpyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944044
9H-fluoren-9-ylmethyl 3-(isoquinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941905
9H-fluoren-9-ylmethyl 3-(8-methylquinoline-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171948562
9H-fluoren-9-ylmethyl 3-(2-cyanoacetyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938816

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171945763) is 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(c1cnc2ccccn12)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is QBRQJBOQFNYWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c34-29(27-17-31-28-11-5-6-14-32(27)28)19-15-20-12-13-21(16-19)33(20)30(35)36-18-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26/h1-11,14,17,19-21,26H,12-13,15-16,18H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 477.56 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171945763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).