9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C30H27N3O3 — CID 171945713

IUPAC9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(c1ccn2ccnc2c1)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27N3O3/c34-29(19-11-13-32-14-12-31-28(32)17-19)20-15-21-9-10-22(16-20)33(21)30(35)36-18-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-8,11-14,17,20-22,27H,9-10,15-16,18H2
InChIKeyBKMDKSRWPALSPE-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.71
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171945713) 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-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171945713
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESO=C(c1ccn2ccnc2c1)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27N3O3/c34-29(19-11-13-32-14-12-31-28(32)17-19)20-15-21-9-10-22(16-20)33(21)30(35)36-18-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-8,11-14,17,20-22,27H,9-10,15-16,18H2
InChIKeyBKMDKSRWPALSPE-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

Analyze 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl 3-(2-cyanoacetyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938816
9H-fluoren-9-ylmethyl 3-(3-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950869
9H-fluoren-9-ylmethyl 3-(2-methylpyrimidine-5-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171950703
9H-fluoren-9-ylmethyl 3-(isoquinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941905
9H-fluoren-9-ylmethyl 3-(3-cyanopyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944020
9H-fluoren-9-ylmethyl 3-(3-methoxy-4-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171947058
9H-fluoren-9-ylmethyl 3-(naphthalene-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171942235
9H-fluoren-9-ylmethyl 3-(4-fluoro-3-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945117
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-(3-cyano-4-methylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171946536
9H-fluoren-9-ylmethyl 3-(4-fluoro-3,5-dimethylbenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171948163
9H-fluoren-9-ylmethyl 3-(4-methoxybenzoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944193

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171945713) is 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-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-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is O=C(c1ccn2ccnc2c1)C1CC2CCC(C1)N2C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is BKMDKSRWPALSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c34-29(19-11-13-32-14-12-31-28(32)17-19)20-15-21-9-10-22(16-20)33(21)30(35)36-18-27-25-7-3-1-5-23(25)24-6-2-4-8-26(24)27/h1-8,11-14,17,20-22,27H,9-10,15-16,18H2.
What are the key properties of 9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
9H-fluoren-9-ylmethyl 3-(imidazo[1,2-a]pyridine-7-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-7-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171945713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).