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

C22H28N6O2 — CID 52933663

IUPACtert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2nc(-c3cnn4ccccc34)ccc2N)C1
InChIInChI=1S/C22H28N6O2/c1-22(2,3)30-21(29)27-11-6-7-15(14-27)25-20-17(23)9-10-18(26-20)16-13-24-28-12-5-4-8-19(16)28/h4-5,8-10,12-13,15H,6-7,11,14,23H2,1-3H3,(H,25,26)/t15-/m0/s1
InChIKeyAFJPLDPDQLCDKU-HNNXBMFYSA-N
MW408.51 g/mol
LogP3.79
Rot. Bonds3

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

tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 52933663) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID52933663
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Nametert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2nc(-c3cnn4ccccc34)ccc2N)C1
InChIInChI=1S/C22H28N6O2/c1-22(2,3)30-21(29)27-11-6-7-15(14-27)25-20-17(23)9-10-18(26-20)16-13-24-28-12-5-4-8-19(16)28/h4-5,8-10,12-13,15H,6-7,11,14,23H2,1-3H3,(H,25,26)/t15-/m0/s1
InChIKeyAFJPLDPDQLCDKU-HNNXBMFYSA-N
XLogP3.79
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-[(6-chloro-5-fluoro-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 134587639
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 (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 140877061
tert-butyl (3R)-3-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]piperidine-1-carboxylate
CID 122430848
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
tert-butyl (3S)-3-[(6-pyrazolo[1,5-a]pyridin-3-ylpyrazin-2-yl)methyl]piperidine-1-carboxylate
CID 159447658
tert-butyl (3R)-3-[(3-aminoquinolin-4-yl)amino]piperidine-1-carboxylate
CID 71212336
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3S)-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303375
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate (CID 52933663) is tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc(-c3cnn4ccccc34)ccc2N)C1.
What is the InChIKey of tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is AFJPLDPDQLCDKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-22(2,3)30-21(29)27-11-6-7-15(14-27)25-20-17(23)9-10-18(26-20)16-13-24-28-12-5-4-8-19(16)28/h4-5,8-10,12-13,15H,6-7,11,14,23H2,1-3H3,(H,25,26)/t15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 408.51 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 52933663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).