tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

C19H26N8O2 — CID 67464003

IUPACtert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCn1cc(Nc2ncc3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)c3n2)cn1
InChIInChI=1S/C19H26N8O2/c1-19(2,3)29-18(28)26-7-5-6-15(12-26)27-16-13(9-22-27)8-20-17(24-16)23-14-10-21-25(4)11-14/h8-11,15H,5-7,12H2,1-4H3,(H,20,23,24)
InChIKeyGSTXIVITGWTEKV-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (PubChem CID 67464003) has the molecular formula C19H26N8O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
PubChem CID67464003
Molecular FormulaC19H26N8O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Nametert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCn1cc(Nc2ncc3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)c3n2)cn1
InChIInChI=1S/C19H26N8O2/c1-19(2,3)29-18(28)26-7-5-6-15(12-26)27-16-13(9-22-27)8-20-17(24-16)23-14-10-21-25(4)11-14/h8-11,15H,5-7,12H2,1-4H3,(H,20,23,24)
InChIKeyGSTXIVITGWTEKV-UHFFFAOYSA-N
XLogP2.88
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-[4-[[5-carbamoyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 155668460
tert-butyl (3R)-3-[2-(4-fluoroanilino)-8-oxo-7H-purin-9-yl]piperidine-1-carboxylate
CID 118620629
2,2,2-trifluoro-1-[3-[[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 54578887
tert-butyl 3-[8-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrrolidine-1-carboxylate
CID 118456699
tert-butyl (3R)-3-[6-(2,4-difluorophenoxy)-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]piperidine-1-carboxylate;6-(2,4-difluorophenoxy)-2-[(1-methylpyrazol-4-yl)amino]-8-[(3R)-piperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one;methane;1-methylpyrazol-4-amine;hydrochloride
CID 164993722
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522
tert-butyl 8-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 118390043
tert-butyl 9-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-methylamino]-3-azaspiro[5.5]undecane-3-carboxylate
CID 118390068
tert-butyl (3S)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 118288867
tert-butyl 4-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-azaspiro[4.4]nonane-2-carboxylate
CID 118390113
tert-butyl 4-[4-[(7-cyclopentyl-5-methylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]sulfonylpiperazine-1-carboxylate
CID 58016017
tert-butyl (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162680

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (CID 67464003) is tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is Cn1cc(Nc2ncc3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)c3n2)cn1.
What is the InChIKey of tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The InChIKey is GSTXIVITGWTEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O2/c1-19(2,3)29-18(28)26-7-5-6-15(12-26)27-16-13(9-22-27)8-20-17(24-16)23-14-10-21-25(4)11-14/h8-11,15H,5-7,12H2,1-4H3,(H,20,23,24).
What are the key properties of tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate has a molecular weight of 398.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67464003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).