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

C17H14N6O — CID 156577910

IUPAC3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3cncnc3)c2c1)c1ccncn1
InChIInChI=1S/C17H14N6O/c1-11(15-4-5-18-10-21-15)24-13-2-3-16-14(6-13)17(23-22-16)12-7-19-9-20-8-12/h2-11H,1H3,(H,22,23)
InChIKeyOPMKYIPXDONJPT-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.95
Rot. Bonds4

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

3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole (PubChem CID 156577910) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole.

Molecular Properties

Compound Name3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
PubChem CID156577910
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3cncnc3)c2c1)c1ccncn1
InChIInChI=1S/C17H14N6O/c1-11(15-4-5-18-10-21-15)24-13-2-3-16-14(6-13)17(23-22-16)12-7-19-9-20-8-12/h2-11H,1H3,(H,22,23)
InChIKeyOPMKYIPXDONJPT-UHFFFAOYSA-N
XLogP2.95
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The IUPAC name of 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole (CID 156577910) is 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole.
What is the SMILES notation for 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The canonical SMILES for 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole is CC(Oc1ccc2[nH]nc(-c3cncnc3)c2c1)c1ccncn1.
What is the InChIKey of 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
The InChIKey is OPMKYIPXDONJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-11(15-4-5-18-10-21-15)24-13-2-3-16-14(6-13)17(23-22-16)12-7-19-9-20-8-12/h2-11H,1H3,(H,22,23).
What are the key properties of 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole?
3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole has a molecular weight of 318.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole is sourced from PubChem (CID 156577910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).