tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate

C22H27N5O2 — CID 159447658

IUPACtert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(-c3cnn4ccccc34)n2)C1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)29-21(28)26-9-6-7-16(15-26)11-17-12-23-14-19(25-17)18-13-24-27-10-5-4-8-20(18)27/h4-5,8,10,12-14,16H,6-7,9,11,15H2,1-3H3/t16-/m0/s1
InChIKeyLJRPUBDFCCRVML-INIZCTEOSA-N
MW393.49 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 159447658) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID159447658
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Nametert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(-c3cnn4ccccc34)n2)C1
InChIInChI=1S/C22H27N5O2/c1-22(2,3)29-21(28)26-9-6-7-16(15-26)11-17-12-23-14-19(25-17)18-13-24-27-10-5-4-8-20(18)27/h4-5,8,10,12-14,16H,6-7,9,11,15H2,1-3H3/t16-/m0/s1
InChIKeyLJRPUBDFCCRVML-INIZCTEOSA-N
XLogP3.98
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-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

tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate
CID 124942430
tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 52933663
tert-butyl 3-(1-methyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 67123588
tert-butyl 3-(1-ethyl-2-oxo-5-pyrazolo[1,5-a]pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 67123984
3-[6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]methyl]pyrazin-2-yl]benzoic acid
CID 175660541
tert-butyl (3R)-3-[[6-(2,6-dimethyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 140877060
tert-butyl 3-[(6-chloro-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 134587639
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
tert-butyl (3R)-3-[5-fluoro-6-(2-hydroxyethoxy)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 140877082
tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
CID 129390877
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate (CID 159447658) is tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(-c3cnn4ccccc34)n2)C1.
What is the InChIKey of tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is LJRPUBDFCCRVML-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-22(2,3)29-21(28)26-9-6-7-16(15-26)11-17-12-23-14-19(25-17)18-13-24-27-10-5-4-8-20(18)27/h4-5,8,10,12-14,16H,6-7,9,11,15H2,1-3H3/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 159447658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).