[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate

C20H15N3O2 — CID 86863186

IUPAC[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccncc1)c1cccc2cn[nH]c12
InChIInChI=1S/C20H15N3O2/c24-20(17-8-4-7-16-13-22-23-18(16)17)25-19(14-5-2-1-3-6-14)15-9-11-21-12-10-15/h1-13,19H,(H,22,23)
InChIKeyUKWYGCDVEDHRKV-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.90
Rot. Bonds4

About [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate

[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate (PubChem CID 86863186) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate.

Molecular Properties

Compound Name[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate
PubChem CID86863186
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccncc1)c1cccc2cn[nH]c12
InChIInChI=1S/C20H15N3O2/c24-20(17-8-4-7-16-13-22-23-18(16)17)25-19(14-5-2-1-3-6-14)15-9-11-21-12-10-15/h1-13,19H,(H,22,23)
InChIKeyUKWYGCDVEDHRKV-UHFFFAOYSA-N
XLogP3.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate?
The IUPAC name of [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate (CID 86863186) is [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate.
What is the SMILES notation for [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate?
The canonical SMILES for [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate is O=C(OC(c1ccccc1)c1ccncc1)c1cccc2cn[nH]c12.
What is the InChIKey of [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate?
The InChIKey is UKWYGCDVEDHRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(17-8-4-7-16-13-22-23-18(16)17)25-19(14-5-2-1-3-6-14)15-9-11-21-12-10-15/h1-13,19H,(H,22,23).
What are the key properties of [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate?
[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate is sourced from PubChem (CID 86863186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).