6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine

C26H25FN6O2 — CID 146591946

IUPAC6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine
SMILESCC(Oc1cc2cc(F)ccc2nc1N)c1cc2c(cnn2C2CCCCO2)cc1-n1cccn1
InChIInChI=1S/C26H25FN6O2/c1-16(35-24-13-17-11-19(27)6-7-21(17)31-26(24)28)20-14-22-18(12-23(20)32-9-4-8-29-32)15-30-33(22)25-5-2-3-10-34-25/h4,6-9,11-16,25H,2-3,5,10H2,1H3,(H2,28,31)
InChIKeyFXIJFJCZOFNAFQ-UHFFFAOYSA-N
MW472.52 g/mol
LogP5.33
Rot. Bonds5

About 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine

6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine (PubChem CID 146591946) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine.

Molecular Properties

Compound Name6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine
PubChem CID146591946
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine
SMILESCC(Oc1cc2cc(F)ccc2nc1N)c1cc2c(cnn2C2CCCCO2)cc1-n1cccn1
InChIInChI=1S/C26H25FN6O2/c1-16(35-24-13-17-11-19(27)6-7-21(17)31-26(24)28)20-14-22-18(12-23(20)32-9-4-8-29-32)15-30-33(22)25-5-2-3-10-34-25/h4,6-9,11-16,25H,2-3,5,10H2,1H3,(H2,28,31)
InChIKeyFXIJFJCZOFNAFQ-UHFFFAOYSA-N
XLogP5.33
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine?
The IUPAC name of 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine (CID 146591946) is 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine.
What is the SMILES notation for 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine?
The canonical SMILES for 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine is CC(Oc1cc2cc(F)ccc2nc1N)c1cc2c(cnn2C2CCCCO2)cc1-n1cccn1.
What is the InChIKey of 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine?
The InChIKey is FXIJFJCZOFNAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-16(35-24-13-17-11-19(27)6-7-21(17)31-26(24)28)20-14-22-18(12-23(20)32-9-4-8-29-32)15-30-33(22)25-5-2-3-10-34-25/h4,6-9,11-16,25H,2-3,5,10H2,1H3,(H2,28,31).
What are the key properties of 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine?
6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine has a molecular weight of 472.52 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[1-(oxan-2-yl)-5-pyrazol-1-ylindazol-6-yl]ethoxy]quinolin-2-amine is sourced from PubChem (CID 146591946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).