6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile

C27H25N7O2 — CID 59026326

IUPAC6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile
SMILESCOc1cc(-n2cccn2)ccc1-c1c(C)nn2c(CCCOc3ccc(C#N)cn3)cc(C)nc12
InChIInChI=1S/C27H25N7O2/c1-18-14-22(6-4-13-36-25-10-7-20(16-28)17-29-25)34-27(31-18)26(19(2)32-34)23-9-8-21(15-24(23)35-3)33-12-5-11-30-33/h5,7-12,14-15,17H,4,6,13H2,1-3H3
InChIKeyRFADZARPGIQTCF-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.49
Rot. Bonds8

About 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile

6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile (PubChem CID 59026326) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile
PubChem CID59026326
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC Name6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile
SMILESCOc1cc(-n2cccn2)ccc1-c1c(C)nn2c(CCCOc3ccc(C#N)cn3)cc(C)nc12
InChIInChI=1S/C27H25N7O2/c1-18-14-22(6-4-13-36-25-10-7-20(16-28)17-29-25)34-27(31-18)26(19(2)32-34)23-9-8-21(15-24(23)35-3)33-12-5-11-30-33/h5,7-12,14-15,17H,4,6,13H2,1-3H3
InChIKeyRFADZARPGIQTCF-UHFFFAOYSA-N
XLogP4.49
TPSA103.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile (CID 59026326) is 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile is COc1cc(-n2cccn2)ccc1-c1c(C)nn2c(CCCOc3ccc(C#N)cn3)cc(C)nc12.
What is the InChIKey of 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile?
The InChIKey is RFADZARPGIQTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-18-14-22(6-4-13-36-25-10-7-20(16-28)17-29-25)34-27(31-18)26(19(2)32-34)23-9-8-21(15-24(23)35-3)33-12-5-11-30-33/h5,7-12,14-15,17H,4,6,13H2,1-3H3.
What are the key properties of 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile?
6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile has a molecular weight of 479.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]propoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 59026326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).