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

C20H26N4O3 — CID 171945548

IUPACtert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)c1cnc3cnccn13)C2
InChIInChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)24-14-5-4-6-15(24)10-13(9-14)18(25)16-11-22-17-12-21-7-8-23(16)17/h7-8,11-15H,4-6,9-10H2,1-3H3
InChIKeySEPOGAMUTBPYKC-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.48
Rot. Bonds2

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

tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 171945548) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID171945548
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nametert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)c1cnc3cnccn13)C2
InChIInChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)24-14-5-4-6-15(24)10-13(9-14)18(25)16-11-22-17-12-21-7-8-23(16)17/h7-8,11-15H,4-6,9-10H2,1-3H3
InChIKeySEPOGAMUTBPYKC-UHFFFAOYSA-N
XLogP3.48
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-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

2-Butyl-1-imidazo[1,2-a]pyrazin-3-ylhexan-1-one
CID 154612471
1-Imidazo[1,2-a]pyrazin-2-yl-2-propylhexan-1-one
CID 169687779
Tert-butyl 3-(3-methylimidazole-4-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937515
Tert-butyl 3-(imidazo[1,2-a]pyrimidine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945523
Imidazo[1,2-a]pyrazin-3-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171945536
Tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945537
9-Azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
CID 171945545
Imidazo[1,2-a]pyrazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945546
Imidazo[1,2-a]pyrazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945551
Imidazo[1,2-a]pyrazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945555
Tert-butyl 7-(imidazo[1,2-a]pyrazine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945558

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 171945548) is tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate is CC(C)(C)OC(=O)N1C2CCCC1CC(C(=O)c1cnc3cnccn13)C2.
What is the InChIKey of tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is SEPOGAMUTBPYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,3)27-19(26)24-14-5-4-6-15(24)10-13(9-14)18(25)16-11-22-17-12-21-7-8-23(16)17/h7-8,11-15H,4-6,9-10H2,1-3H3.
What are the key properties of tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate?
tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 171945548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).