1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine

C21H19FN4O — CID 66687956

IUPAC1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine
SMILESCC(N)C(Oc1cc2cnn(-c3cccnc3)c2cc1F)c1ccccc1
InChIInChI=1S/C21H19FN4O/c1-14(23)21(15-6-3-2-4-7-15)27-20-10-16-12-25-26(19(16)11-18(20)22)17-8-5-9-24-13-17/h2-14,21H,23H2,1H3
InChIKeyISAJORPQSQGVFG-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.03
Rot. Bonds5

About 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine

1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine (PubChem CID 66687956) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine
PubChem CID66687956
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine
SMILESCC(N)C(Oc1cc2cnn(-c3cccnc3)c2cc1F)c1ccccc1
InChIInChI=1S/C21H19FN4O/c1-14(23)21(15-6-3-2-4-7-15)27-20-10-16-12-25-26(19(16)11-18(20)22)17-8-5-9-24-13-17/h2-14,21H,23H2,1H3
InChIKeyISAJORPQSQGVFG-UHFFFAOYSA-N
XLogP4.03
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine?
The IUPAC name of 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine (CID 66687956) is 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine?
The canonical SMILES for 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine is CC(N)C(Oc1cc2cnn(-c3cccnc3)c2cc1F)c1ccccc1.
What is the InChIKey of 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine?
The InChIKey is ISAJORPQSQGVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14(23)21(15-6-3-2-4-7-15)27-20-10-16-12-25-26(19(16)11-18(20)22)17-8-5-9-24-13-17/h2-14,21H,23H2,1H3.
What are the key properties of 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine?
1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine has a molecular weight of 362.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-pyridin-3-ylindazol-5-yl)oxy-1-phenylpropan-2-amine is sourced from PubChem (CID 66687956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).