2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine

C19H18N6 — CID 139664422

IUPAC2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine
SMILESCC(C)c1nn2ccccc2c1/C=C/c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C19H18N6/c1-13(2)18-16(17-8-3-4-11-25(17)22-18)10-9-14-6-5-7-15(12-14)19-20-23-24-21-19/h3-13H,1-2H3,(H,20,21,23,24)/b10-9+
InChIKeyVLRHBLIOPAXOOD-MDZDMXLPSA-N
MW330.40 g/mol
LogP3.81
Rot. Bonds4

About 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine

2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine (PubChem CID 139664422) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine
PubChem CID139664422
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine
SMILESCC(C)c1nn2ccccc2c1/C=C/c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C19H18N6/c1-13(2)18-16(17-8-3-4-11-25(17)22-18)10-9-14-6-5-7-15(12-14)19-20-23-24-21-19/h3-13H,1-2H3,(H,20,21,23,24)/b10-9+
InChIKeyVLRHBLIOPAXOOD-MDZDMXLPSA-N
XLogP3.81
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine (CID 139664422) is 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine is CC(C)c1nn2ccccc2c1/C=C/c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine?
The InChIKey is VLRHBLIOPAXOOD-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H18N6/c1-13(2)18-16(17-8-3-4-11-25(17)22-18)10-9-14-6-5-7-15(12-14)19-20-23-24-21-19/h3-13H,1-2H3,(H,20,21,23,24)/b10-9+.
What are the key properties of 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine?
2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine has a molecular weight of 330.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-[(E)-2-[3-(2H-tetrazol-5-yl)phenyl]ethenyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 139664422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).