tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate

C12H14BrN3O2 — CID 90175973

IUPACtert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccn2ncc(Br)c2c1
InChIInChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)15-8-4-5-16-10(6-8)9(13)7-14-16/h4-7H,1-3H3,(H,15,17)
InChIKeySLZCIPFTNQCAQH-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.44
Rot. Bonds1

About tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate

tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate (PubChem CID 90175973) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate
PubChem CID90175973
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Nametert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccn2ncc(Br)c2c1
InChIInChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)15-8-4-5-16-10(6-8)9(13)7-14-16/h4-7H,1-3H3,(H,15,17)
InChIKeySLZCIPFTNQCAQH-UHFFFAOYSA-N
XLogP3.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90134610
tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate
CID 91971207
tert-butyl N-(6-bromopyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 137347375
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamate;ethyl formate
CID 160959566
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
methyl N-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate
CID 137440860
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
3-bromopyrazolo[1,5-a]pyridine-5-carboxamide
CID 171597831
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-[3-(4-bromoimidazol-1-yl)phenyl]carbamate
CID 177240925

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate?
The IUPAC name of tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate (CID 90175973) is tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate is CC(C)(C)OC(=O)Nc1ccn2ncc(Br)c2c1.
What is the InChIKey of tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate?
The InChIKey is SLZCIPFTNQCAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)15-8-4-5-16-10(6-8)9(13)7-14-16/h4-7H,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate?
tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate has a molecular weight of 312.17 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate is sourced from PubChem (CID 90175973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).