3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine

C26H23N5O — CID 59134886

IUPAC3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine
SMILESCOc1cc(-n2cccn2)ccc1-c1nn(C)c2c(/C=C/c3ccccc3)cc(C)nc12
InChIInChI=1S/C26H23N5O/c1-18-16-20(11-10-19-8-5-4-6-9-19)26-25(28-18)24(29-30(26)2)22-13-12-21(17-23(22)32-3)31-15-7-14-27-31/h4-17H,1-3H3/b11-10+
InChIKeyXDNXHOZICVNWMB-ZHACJKMWSA-N
MW421.50 g/mol
LogP5.31
Rot. Bonds5

About 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine

3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine (PubChem CID 59134886) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine
PubChem CID59134886
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine
SMILESCOc1cc(-n2cccn2)ccc1-c1nn(C)c2c(/C=C/c3ccccc3)cc(C)nc12
InChIInChI=1S/C26H23N5O/c1-18-16-20(11-10-19-8-5-4-6-9-19)26-25(28-18)24(29-30(26)2)22-13-12-21(17-23(22)32-3)31-15-7-14-27-31/h4-17H,1-3H3/b11-10+
InChIKeyXDNXHOZICVNWMB-ZHACJKMWSA-N
XLogP5.31
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine (CID 59134886) is 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine is COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(/C=C/c3ccccc3)cc(C)nc12.
What is the InChIKey of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine?
The InChIKey is XDNXHOZICVNWMB-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H23N5O/c1-18-16-20(11-10-19-8-5-4-6-9-19)26-25(28-18)24(29-30(26)2)22-13-12-21(17-23(22)32-3)31-15-7-14-27-31/h4-17H,1-3H3/b11-10+.
What are the key properties of 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine?
3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine has a molecular weight of 421.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[(E)-2-phenylethenyl]pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 59134886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).