4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H23BN4O3 — CID 164920671

IUPAC4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cn2ncc(C#N)c12)c1ccccn1
InChIInChI=1S/C21H23BN4O3/c1-14(17-8-6-7-9-24-17)27-18-10-16(13-26-19(18)15(11-23)12-25-26)22-28-20(2,3)21(4,5)29-22/h6-10,12-14H,1-5H3/t14-/m1/s1
InChIKeyWLENBTSEHLJVLZ-CQSZACIVSA-N
MW390.25 g/mol
LogP3.04
Rot. Bonds4

About 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920671) has the molecular formula C21H23BN4O3 and a molecular weight of 390.25 g/mol. Its IUPAC name is 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID164920671
Molecular FormulaC21H23BN4O3
Molecular Weight390.25 g/mol
Exact Mass390.19
IUPAC Name4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cn2ncc(C#N)c12)c1ccccn1
InChIInChI=1S/C21H23BN4O3/c1-14(17-8-6-7-9-24-17)27-18-10-16(13-26-19(18)15(11-23)12-25-26)22-28-20(2,3)21(4,5)29-22/h6-10,12-14H,1-5H3/t14-/m1/s1
InChIKeyWLENBTSEHLJVLZ-CQSZACIVSA-N
XLogP3.04
TPSA81.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 178130641
6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920773
[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
CID 171818813
6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921413
7-[(1R)-1-pyridin-2-ylethoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 178013557
6-[5-methyl-1-[7-(oxetan-3-yl)-7-azaspiro[3.5]nonan-2-yl]pyrazol-4-yl]-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267387
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane
CID 169267284
6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267645
tert-butyl 4-[4-[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 164921453
6-[(Z)-1-amino-2-[amino-[1-(1-prop-2-enoylpiperidin-4-yl)azetidin-3-yl]amino]prop-1-enyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;ethane
CID 171074844
tert-butyl 3-[3-[[(Z)-4-amino-3-[3-cyano-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]but-3-en-2-ylidene]amino]azetidin-1-yl]pyrrolidine-1-carboxylate
CID 164921461

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920671) is 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cn2ncc(C#N)c12)c1ccccn1.
What is the InChIKey of 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WLENBTSEHLJVLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23BN4O3/c1-14(17-8-6-7-9-24-17)27-18-10-16(13-26-19(18)15(11-23)12-25-26)22-28-20(2,3)21(4,5)29-22/h6-10,12-14H,1-5H3/t14-/m1/s1.
What are the key properties of 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 390.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).