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

C16H21BrN4O2 — CID 130248062

IUPACtert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2nc(Br)c3cnccc32)C1
InChIInChI=1S/C16H21BrN4O2/c1-16(2,3)23-15(22)20-8-4-5-11(10-20)21-13-6-7-18-9-12(13)14(17)19-21/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyDZXBXSORQNEKQJ-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.77
Rot. Bonds1

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

tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate (PubChem CID 130248062) has the molecular formula C16H21BrN4O2 and a molecular weight of 381.27 g/mol. Its IUPAC name is tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
PubChem CID130248062
Molecular FormulaC16H21BrN4O2
Molecular Weight381.27 g/mol
Exact Mass380.08
IUPAC Nametert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2nc(Br)c3cnccc32)C1
InChIInChI=1S/C16H21BrN4O2/c1-16(2,3)23-15(22)20-8-4-5-11(10-20)21-13-6-7-18-9-12(13)14(17)19-21/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyDZXBXSORQNEKQJ-UHFFFAOYSA-N
XLogP3.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(3-bromoindazol-1-yl)piperidine-1-carboxylate;ethane
CID 171544267
tert-butyl 3-(4-amino-3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 146608405
4-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzoic acid
CID 130248878
tert-butyl 4-(3-bromoindazol-1-yl)azepane-1-carboxylate
CID 178042915
tert-butyl 3-(3-bromoindazol-1-yl)azetidine-1-carboxylate
CID 178043117
tert-butyl 3-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
CID 71222871
tert-butyl 3-[7-bromo-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate
CID 175297581
tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate
CID 118223778
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-(3-iodopyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 171543961
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate (CID 130248062) is tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(n2nc(Br)c3cnccc32)C1.
What is the InChIKey of tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate?
The InChIKey is DZXBXSORQNEKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4O2/c1-16(2,3)23-15(22)20-8-4-5-11(10-20)21-13-6-7-18-9-12(13)14(17)19-21/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate?
tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate has a molecular weight of 381.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 130248062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).