5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

C22H19N3 — CID 156734155

IUPAC5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESCc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C22H19N3/c1-16-5-4-6-17(13-16)14-18-8-10-21-20(15-18)22(25-24-21)11-9-19-7-2-3-12-23-19/h2-13,15H,14H2,1H3,(H,24,25)/b11-9+
InChIKeyYCNQIYHNMHNKHW-PKNBQFBNSA-N
MW325.42 g/mol
LogP5.03
Rot. Bonds4

About 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole

5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (PubChem CID 156734155) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
PubChem CID156734155
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
SMILESCc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C22H19N3/c1-16-5-4-6-17(13-16)14-18-8-10-21-20(15-18)22(25-24-21)11-9-19-7-2-3-12-23-19/h2-13,15H,14H2,1H3,(H,24,25)/b11-9+
InChIKeyYCNQIYHNMHNKHW-PKNBQFBNSA-N
XLogP5.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The IUPAC name of 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole (CID 156734155) is 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole.
What is the SMILES notation for 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The canonical SMILES for 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is Cc1cccc(Cc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
The InChIKey is YCNQIYHNMHNKHW-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H19N3/c1-16-5-4-6-17(13-16)14-18-8-10-21-20(15-18)22(25-24-21)11-9-19-7-2-3-12-23-19/h2-13,15H,14H2,1H3,(H,24,25)/b11-9+.
What are the key properties of 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole?
5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole has a molecular weight of 325.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole is sourced from PubChem (CID 156734155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).