tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate

C21H25ClN6O2 — CID 58303367

IUPACtert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3cnn4cc(Cl)ccc34)n2)C1
InChIInChI=1S/C21H25ClN6O2/c1-21(2,3)30-20(29)27-8-4-5-15(13-27)25-19-11-23-10-17(26-19)16-9-24-28-12-14(22)6-7-18(16)28/h6-7,9-12,15H,4-5,8,13H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyRGSDHCDZNSTUTF-OAHLLOKOSA-N
MW428.92 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 58303367) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
PubChem CID58303367
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC Nametert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3cnn4cc(Cl)ccc34)n2)C1
InChIInChI=1S/C21H25ClN6O2/c1-21(2,3)30-20(29)27-8-4-5-15(13-27)25-19-11-23-10-17(26-19)16-9-24-28-12-14(22)6-7-18(16)28/h6-7,9-12,15H,4-5,8,13H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyRGSDHCDZNSTUTF-OAHLLOKOSA-N
XLogP4.26
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate (CID 58303367) is tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cncc(-c3cnn4cc(Cl)ccc34)n2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is RGSDHCDZNSTUTF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25ClN6O2/c1-21(2,3)30-20(29)27-8-4-5-15(13-27)25-19-11-23-10-17(26-19)16-9-24-28-12-14(22)6-7-18(16)28/h6-7,9-12,15H,4-5,8,13H2,1-3H3,(H,25,26)/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 428.92 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[6-(6-chloropyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 58303367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).