tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate

C16H21IN4O2 — CID 171543961

IUPACtert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3cccnc32)C1
InChIInChI=1S/C16H21IN4O2/c1-16(2,3)23-15(22)20-9-5-6-11(10-20)21-14-12(13(17)19-21)7-4-8-18-14/h4,7-8,11H,5-6,9-10H2,1-3H3/t11-/m1/s1
InChIKeyCDHILZQXDAJLJX-LLVKDONJSA-N
MW428.27 g/mol
LogP3.61
Rot. Bonds1

About tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate

tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate (PubChem CID 171543961) has the molecular formula C16H21IN4O2 and a molecular weight of 428.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
PubChem CID171543961
Molecular FormulaC16H21IN4O2
Molecular Weight428.27 g/mol
Exact Mass428.07
IUPAC Nametert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3cccnc32)C1
InChIInChI=1S/C16H21IN4O2/c1-16(2,3)23-15(22)20-9-5-6-11(10-20)21-14-12(13(17)19-21)7-4-8-18-14/h4,7-8,11H,5-6,9-10H2,1-3H3/t11-/m1/s1
InChIKeyCDHILZQXDAJLJX-LLVKDONJSA-N
XLogP3.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R)-3-[3-(3-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]piperidine-1-carboxylate
CID 171544244
tert-butyl 3-(3-bromoindazol-1-yl)piperidine-1-carboxylate;ethane
CID 171544267
tert-butyl (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162680
tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162668
tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate
CID 134531338
tert-butyl 3-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 71222871
tert-butyl 3-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)pyrrolidine-1-carboxylate
CID 175458913
tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 130248062
tert-butyl (3S)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
CID 124566469
tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 146608405
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl 3-[[(3-hydroxy-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71631128

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate (CID 171543961) is tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3cccnc32)C1.
What is the InChIKey of tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is CDHILZQXDAJLJX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21IN4O2/c1-16(2,3)23-15(22)20-9-5-6-11(10-20)21-14-12(13(17)19-21)7-4-8-18-14/h4,7-8,11H,5-6,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 428.27 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171543961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).