ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile

C21H26BN5O — CID 143440464

IUPACethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
SMILESCC.COc1cc(C2CCCB(C#N)C2)nc2c(-c3ccc(C)nc3)cnn12
InChIInChI=1S/C19H20BN5O.C2H6/c1-13-5-6-15(10-22-13)16-11-23-25-18(26-2)8-17(24-19(16)25)14-4-3-7-20(9-14)12-21;1-2/h5-6,8,10-11,14H,3-4,7,9H2,1-2H3;1-2H3
InChIKeyHGFBCLNPUWWWLY-UHFFFAOYSA-N
MW375.29 g/mol
LogP4.57
Rot. Bonds3

About ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile

ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile (PubChem CID 143440464) has the molecular formula C21H26BN5O and a molecular weight of 375.29 g/mol. Its IUPAC name is ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile.

Molecular Properties

Compound Nameethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
PubChem CID143440464
Molecular FormulaC21H26BN5O
Molecular Weight375.29 g/mol
Exact Mass375.22
IUPAC Nameethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
SMILESCC.COc1cc(C2CCCB(C#N)C2)nc2c(-c3ccc(C)nc3)cnn12
InChIInChI=1S/C19H20BN5O.C2H6/c1-13-5-6-15(10-22-13)16-11-23-25-18(26-2)8-17(24-19(16)25)14-4-3-7-20(9-14)12-21;1-2/h5-6,8,10-11,14H,3-4,7,9H2,1-2H3;1-2H3
InChIKeyHGFBCLNPUWWWLY-UHFFFAOYSA-N
XLogP4.57
TPSA76.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile
CID 143441153
ethane;3-[3-(5-formylfuran-3-yl)-7-methoxypyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143656240
ethane;3-[3-(furan-3-yl)-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143656210
3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile;ethane
CID 143436633
5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
CID 71199011
3-[7-amino-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143441730
methyl 3-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 161126543
tert-butyl 3-(7-methoxy-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-3-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158161650
3-[6-(2-fluorophenyl)-3-pyridinyl]-5-(4-methylcyclohexyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 91359965
3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822341
3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821169
methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
CID 58173554

Frequently Asked Questions

What is the IUPAC name of ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile?
The IUPAC name of ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile (CID 143440464) is ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile.
What is the SMILES notation for ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile?
The canonical SMILES for ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile is CC.COc1cc(C2CCCB(C#N)C2)nc2c(-c3ccc(C)nc3)cnn12.
What is the InChIKey of ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile?
The InChIKey is HGFBCLNPUWWWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BN5O.C2H6/c1-13-5-6-15(10-22-13)16-11-23-25-18(26-2)8-17(24-19(16)25)14-4-3-7-20(9-14)12-21;1-2/h5-6,8,10-11,14H,3-4,7,9H2,1-2H3;1-2H3.
What are the key properties of ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile?
ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile has a molecular weight of 375.29 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile is sourced from PubChem (CID 143440464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).