tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate

C22H32N8O2 — CID 171838639

IUPACtert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)c1cc(Nc2cnc3cnn(C[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3n2)n[nH]1
InChIInChI=1S/C22H32N8O2/c1-14(2)16-9-18(28-27-16)25-19-11-23-17-10-24-30(20(17)26-19)13-15-7-6-8-29(12-15)21(31)32-22(3,4)5/h9-11,14-15H,6-8,12-13H2,1-5H3,(H2,25,26,27,28)/t15-/m1/s1
InChIKeySCKFTVYATMLVFR-OAHLLOKOSA-N
MW440.55 g/mol
LogP4.06
Rot. Bonds5

About tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 171838639) has the molecular formula C22H32N8O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID171838639
Molecular FormulaC22H32N8O2
Molecular Weight440.55 g/mol
Exact Mass440.26
IUPAC Nametert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)c1cc(Nc2cnc3cnn(C[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3n2)n[nH]1
InChIInChI=1S/C22H32N8O2/c1-14(2)16-9-18(28-27-16)25-19-11-23-17-10-24-30(20(17)26-19)13-15-7-6-8-29(12-15)21(31)32-22(3,4)5/h9-11,14-15H,6-8,12-13H2,1-5H3,(H2,25,26,27,28)/t15-/m1/s1
InChIKeySCKFTVYATMLVFR-OAHLLOKOSA-N
XLogP4.06
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate (CID 171838639) is tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate is CC(C)c1cc(Nc2cnc3cnn(C[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)c3n2)n[nH]1.
What is the InChIKey of tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is SCKFTVYATMLVFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H32N8O2/c1-14(2)16-9-18(28-27-16)25-19-11-23-17-10-24-30(20(17)26-19)13-15-7-6-8-29(12-15)21(31)32-22(3,4)5/h9-11,14-15H,6-8,12-13H2,1-5H3,(H2,25,26,27,28)/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 440.55 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[6-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 171838639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).