4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C18H23BrN4O4 — CID 155419086

IUPAC4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(C)OC(O)N1CCO[C@@H](COc2cc(Br)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C18H23BrN4O4/c1-18(2,3)27-17(24)22-4-5-25-14(9-22)11-26-13-6-15(19)16-12(7-20)8-21-23(16)10-13/h6,8,10,14,17,24H,4-5,9,11H2,1-3H3/t14-,17?/m1/s1
InChIKeyAENMCBRNLBFMET-XPCCGILXSA-N
MW439.31 g/mol
LogP2.14
Rot. Bonds5

About 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155419086) has the molecular formula C18H23BrN4O4 and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155419086
Molecular FormulaC18H23BrN4O4
Molecular Weight439.31 g/mol
Exact Mass438.09
IUPAC Name4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(C)OC(O)N1CCO[C@@H](COc2cc(Br)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C18H23BrN4O4/c1-18(2,3)27-17(24)22-4-5-25-14(9-22)11-26-13-6-15(19)16-12(7-20)8-21-23(16)10-13/h6,8,10,14,17,24H,4-5,9,11H2,1-3H3/t14-,17?/m1/s1
InChIKeyAENMCBRNLBFMET-XPCCGILXSA-N
XLogP2.14
TPSA92.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155419086) is 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(C)OC(O)N1CCO[C@@H](COc2cc(Br)c3c(C#N)cnn3c2)C1.
What is the InChIKey of 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is AENMCBRNLBFMET-XPCCGILXSA-N. The full InChI is InChI=1S/C18H23BrN4O4/c1-18(2,3)27-17(24)22-4-5-25-14(9-22)11-26-13-6-15(19)16-12(7-20)8-21-23(16)10-13/h6,8,10,14,17,24H,4-5,9,11H2,1-3H3/t14-,17?/m1/s1.
What are the key properties of 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 439.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[[(2R)-4-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155419086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).