4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C17H21BrN4O2 — CID 161297896

IUPAC4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(C)N1CCO[C@@H](COc2cc(Br)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C17H21BrN4O2/c1-17(2,3)21-4-5-23-14(9-21)11-24-13-6-15(18)16-12(7-19)8-20-22(16)10-13/h6,8,10,14H,4-5,9,11H2,1-3H3/t14-/m1/s1
InChIKeyVHFHZAXRHQVGEI-CQSZACIVSA-N
MW393.29 g/mol
LogP2.85
Rot. Bonds3

About 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 161297896) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID161297896
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(C)N1CCO[C@@H](COc2cc(Br)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C17H21BrN4O2/c1-17(2,3)21-4-5-23-14(9-21)11-24-13-6-15(18)16-12(7-19)8-20-22(16)10-13/h6,8,10,14H,4-5,9,11H2,1-3H3/t14-/m1/s1
InChIKeyVHFHZAXRHQVGEI-CQSZACIVSA-N
XLogP2.85
TPSA62.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(azetidin-1-yl)ethoxy]-4-bromopyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435501
6-[(4-methylmorpholin-2-yl)methoxy]-4-[6-(4-pyridin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436394
6-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644
tert-butyl (2R)-2-[[3-cyano-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate
CID 134436989
tert-butyl (2R)-2-[[3-cyano-4-[6-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]morpholine-4-carboxylate
CID 168756628
4-bromo-6-[(2-hydroxy-2-methylpropyl)sulfonimidoyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155296316
4-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]morpholine
CID 116805390
2-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2,5-dihydropyrrole-1-carboxylic acid
CID 175927636
[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid
CID 142754833
2-[(1-methylpyrazol-4-yl)oxymethyl]-4-propan-2-ylmorpholine
CID 116794099
2-chloro-N-[1-[5-[3-cyano-6-[(4-ethylmorpholin-2-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide
CID 134435597
4-[5-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrazin-2-yl]-6-[[(2S)-4-ethylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;sulfane
CID 159713310

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 161297896) is 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(C)N1CCO[C@@H](COc2cc(Br)c3c(C#N)cnn3c2)C1.
What is the InChIKey of 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VHFHZAXRHQVGEI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-17(2,3)21-4-5-23-14(9-21)11-24-13-6-15(18)16-12(7-19)8-20-22(16)10-13/h6,8,10,14H,4-5,9,11H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 393.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[[(2R)-4-tert-butylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 161297896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).