tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate

C21H26N6O2 — CID 58303375

IUPACtert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2cncc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C21H26N6O2/c1-21(2,3)29-20(28)26-9-6-7-15(14-26)24-18-13-22-11-16(25-18)17-12-23-19-8-4-5-10-27(17)19/h4-5,8,10-13,15H,6-7,9,14H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyVQLLFZQEMAJJNY-HNNXBMFYSA-N
MW394.48 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate

tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 58303375) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID58303375
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Nametert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2cncc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C21H26N6O2/c1-21(2,3)29-20(28)26-9-6-7-15(14-26)24-18-13-22-11-16(25-18)17-12-23-19-8-4-5-10-27(17)19/h4-5,8,10-13,15H,6-7,9,14H2,1-3H3,(H,24,25)/t15-/m0/s1
InChIKeyVQLLFZQEMAJJNY-HNNXBMFYSA-N
XLogP3.60
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[[6-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166962176
tert-butyl 3-[[6-[6-(2,2-difluoroethoxy)pyrazolo[1,5-a]pyrazin-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 76753543
tert-butyl (3S,4S)-3-fluoro-4-[(6-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 166962136
6-imidazo[1,2-a]pyridin-3-yl-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrazin-2-amine
CID 58303222
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
3-[3,5-difluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 169129477
tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate
CID 71212336
tert-butyl 3-[[6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 166961888
tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67241993
1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 141299002
tert-butyl (3R)-3-[[6-[5-(6-propan-2-yloxypyrazin-2-yl)-1H-indol-3-yl]pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 67960038
tert-butyl (3R)-3-[[6-(6-methoxyimidazo[4,5-c]pyridin-1-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
CID 58303617

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate (CID 58303375) is tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](Nc2cncc(-c3cnc4ccccn34)n2)C1.
What is the InChIKey of tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is VQLLFZQEMAJJNY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-21(2,3)29-20(28)26-9-6-7-15(14-26)24-18-13-22-11-16(25-18)17-12-23-19-8-4-5-10-27(17)19/h4-5,8,10-13,15H,6-7,9,14H2,1-3H3,(H,24,25)/t15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 58303375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).