3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole

C19H16N4O — CID 156578148

IUPAC3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccncn1
InChIInChI=1S/C19H16N4O/c1-13(17-9-10-20-12-21-17)24-15-7-8-18-16(11-15)19(23-22-18)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23)
InChIKeyGKMINKOAULRDDJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.16
Rot. Bonds4

About 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole

3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole (PubChem CID 156578148) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole.

Molecular Properties

Compound Name3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
PubChem CID156578148
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccncn1
InChIInChI=1S/C19H16N4O/c1-13(17-9-10-20-12-21-17)24-15-7-8-18-16(11-15)19(23-22-18)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23)
InChIKeyGKMINKOAULRDDJ-UHFFFAOYSA-N
XLogP4.16
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The IUPAC name of 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole (CID 156578148) is 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole.
What is the SMILES notation for 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The canonical SMILES for 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole is CC(Oc1ccc2[nH]nc(-c3ccccc3)c2c1)c1ccncn1.
What is the InChIKey of 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The InChIKey is GKMINKOAULRDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13(17-9-10-20-12-21-17)24-15-7-8-18-16(11-15)19(23-22-18)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23).
What are the key properties of 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole has a molecular weight of 316.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole is sourced from PubChem (CID 156578148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).