tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate

C16H22BrN5O2 — CID 146608405

IUPACtert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2nc(Br)c3c(N)nccc32)C1
InChIInChI=1S/C16H22BrN5O2/c1-16(2,3)24-15(23)21-8-4-5-10(9-21)22-11-6-7-19-14(18)12(11)13(17)20-22/h6-7,10H,4-5,8-9H2,1-3H3,(H2,18,19)
InChIKeyJOFSFKNTGLXNHR-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.35
Rot. Bonds1

About tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate

tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate (PubChem CID 146608405) has the molecular formula C16H22BrN5O2 and a molecular weight of 396.29 g/mol. Its IUPAC name is tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
PubChem CID146608405
Molecular FormulaC16H22BrN5O2
Molecular Weight396.29 g/mol
Exact Mass395.10
IUPAC Nametert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2nc(Br)c3c(N)nccc32)C1
InChIInChI=1S/C16H22BrN5O2/c1-16(2,3)24-15(23)21-8-4-5-10(9-21)22-11-6-7-19-14(18)12(11)13(17)20-22/h6-7,10H,4-5,8-9H2,1-3H3,(H2,18,19)
InChIKeyJOFSFKNTGLXNHR-UHFFFAOYSA-N
XLogP3.35
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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 3-(3-bromoindazol-1-yl)piperidine-1-carboxylate;ethane
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tert-butyl (3R)-3-[4-amino-3-[(6-bromo-1,3-benzoxazol-2-yl)carbamoyl]pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 142749932
tert-butyl 4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridine-3-carboxylate
CID 142749949
tert-butyl (3R)-3-[4-amino-3-(4-hydroxyphenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
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tert-butyl 3-[4-amino-3-(4-iodophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 141449406
tert-butyl (3R)-3-(4-amino-3-iodo-7-methoxypyrazolo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate
CID 134531338
tert-butyl 4-(3-bromoindazol-1-yl)azepane-1-carboxylate
CID 178042915
tert-butyl (3R)-3-[4-amino-3-(4-cyanophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 146519136
tert-butyl (3R)-3-[4-amino-3-(4-methylsulfinylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate (CID 146608405) is tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(n2nc(Br)c3c(N)nccc32)C1.
What is the InChIKey of tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is JOFSFKNTGLXNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN5O2/c1-16(2,3)24-15(23)21-8-4-5-10(9-21)22-11-6-7-19-14(18)12(11)13(17)20-22/h6-7,10H,4-5,8-9H2,1-3H3,(H2,18,19).
What are the key properties of tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate?
tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 396.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 146608405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).