tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

C20H25N3O4 — CID 171945783

IUPACtert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2COCC1CC(C(=O)c1cnc3ccccn13)C2
InChIInChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-14-8-13(9-15(23)12-26-11-14)18(24)16-10-21-17-6-4-5-7-22(16)17/h4-7,10,13-15H,8-9,11-12H2,1-3H3
InChIKeyYTYYLVAHZSTJDR-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.93
Rot. Bonds2

About tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate

tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171945783) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171945783
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nametert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2COCC1CC(C(=O)c1cnc3ccccn13)C2
InChIInChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-14-8-13(9-15(23)12-26-11-14)18(24)16-10-21-17-6-4-5-7-22(16)17/h4-7,10,13-15H,8-9,11-12H2,1-3H3
InChIKeyYTYYLVAHZSTJDR-UHFFFAOYSA-N
XLogP2.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate with MolForge

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Related Compounds

Imidazo[1,2-a]pyridine-3-carboxylic acid,2-[1-(ethoxycarbonyl)-4-piperidinyl]-,ethyl ester
CID 5307178
3-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 58355573
N-methyl-1-[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16189229
N-benzyl-N-methyl-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 16190225
Ethyl 1-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-piperidinecarboxylate
CID 24790567
1-(5-ethyl-2-pyridinyl)-N-methyl-N-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}methanamine
CID 42097100
Ethyl 1-{[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidine-3-carboxylate
CID 16188214
N-methyl-N-{[8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-(tetrahydro-2H-pyran-2-yl)ethanamine
CID 16191163
methyl 1-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-L-prolinate
CID 16187794
8-Methyl-2-(morpholin-4-ylcarbonyl)-3-[(3-phenylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 16191398
Ethyl 1-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-3-piperidinecarboxylate
CID 16191508
Ethyl 1-{7-methylimidazo[1,2-A]pyridine-2-carbonyl}piperidine-4-carboxylate
CID 34421493

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171945783) is tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is CC(C)(C)OC(=O)N1C2COCC1CC(C(=O)c1cnc3ccccn13)C2.
What is the InChIKey of tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is YTYYLVAHZSTJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-14-8-13(9-15(23)12-26-11-14)18(24)16-10-21-17-6-4-5-7-22(16)17/h4-7,10,13-15H,8-9,11-12H2,1-3H3.
What are the key properties of tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate?
tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(imidazo[1,2-a]pyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171945783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).