(6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol

C18H18FN3O2 — CID 167294822

IUPAC(6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol
SMILESOC(c1ccc(F)nc1)c1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C18H18FN3O2/c19-16-7-5-13(10-20-16)18(23)12-4-6-15-14(9-12)11-21-22(15)17-3-1-2-8-24-17/h4-7,9-11,17-18,23H,1-3,8H2
InChIKeyWIVNMCVFBPGIPQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.35
Rot. Bonds3

About (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol

(6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol (PubChem CID 167294822) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol
PubChem CID167294822
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol
SMILESOC(c1ccc(F)nc1)c1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C18H18FN3O2/c19-16-7-5-13(10-20-16)18(23)12-4-6-15-14(9-12)11-21-22(15)17-3-1-2-8-24-17/h4-7,9-11,17-18,23H,1-3,8H2
InChIKeyWIVNMCVFBPGIPQ-UHFFFAOYSA-N
XLogP3.35
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol?
The IUPAC name of (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol (CID 167294822) is (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol.
What is the SMILES notation for (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol?
The canonical SMILES for (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol is OC(c1ccc(F)nc1)c1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol?
The InChIKey is WIVNMCVFBPGIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-16-7-5-13(10-20-16)18(23)12-4-6-15-14(9-12)11-21-22(15)17-3-1-2-8-24-17/h4-7,9-11,17-18,23H,1-3,8H2.
What are the key properties of (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol?
(6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol has a molecular weight of 327.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-pyridinyl)-[1-(oxan-2-yl)indazol-5-yl]methanol is sourced from PubChem (CID 167294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).