1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol

C19H15FN4O — CID 175067715

IUPAC1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol
SMILESCC(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2ccccc12
InChIInChI=1S/C19H15FN4O/c1-12(25)18-15-7-3-5-9-17(15)24(23-18)19-21-10-13(11-22-19)14-6-2-4-8-16(14)20/h2-12,25H,1H3
InChIKeyOMZYMWQYHSWUNE-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.67
Rot. Bonds3

About 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol

1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol (PubChem CID 175067715) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol
PubChem CID175067715
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol
SMILESCC(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2ccccc12
InChIInChI=1S/C19H15FN4O/c1-12(25)18-15-7-3-5-9-17(15)24(23-18)19-21-10-13(11-22-19)14-6-2-4-8-16(14)20/h2-12,25H,1H3
InChIKeyOMZYMWQYHSWUNE-UHFFFAOYSA-N
XLogP3.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol?
The IUPAC name of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol (CID 175067715) is 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol.
What is the SMILES notation for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol?
The canonical SMILES for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol is CC(O)c1nn(-c2ncc(-c3ccccc3F)cn2)c2ccccc12.
What is the InChIKey of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol?
The InChIKey is OMZYMWQYHSWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-12(25)18-15-7-3-5-9-17(15)24(23-18)19-21-10-13(11-22-19)14-6-2-4-8-16(14)20/h2-12,25H,1H3.
What are the key properties of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol?
1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol has a molecular weight of 334.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]indazol-3-yl]ethanol is sourced from PubChem (CID 175067715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).