1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine

C21H19FN4O — CID 66687957

IUPAC1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine
SMILESCC(N)C(Oc1ccc2c(cnn2-c2ccc(F)nc2)c1)c1ccccc1
InChIInChI=1S/C21H19FN4O/c1-14(23)21(15-5-3-2-4-6-15)27-18-8-9-19-16(11-18)12-25-26(19)17-7-10-20(22)24-13-17/h2-14,21H,23H2,1H3
InChIKeyVITCJCMIKYFLTD-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.03
Rot. Bonds5

About 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine

1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine (PubChem CID 66687957) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine
PubChem CID66687957
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine
SMILESCC(N)C(Oc1ccc2c(cnn2-c2ccc(F)nc2)c1)c1ccccc1
InChIInChI=1S/C21H19FN4O/c1-14(23)21(15-5-3-2-4-6-15)27-18-8-9-19-16(11-18)12-25-26(19)17-7-10-20(22)24-13-17/h2-14,21H,23H2,1H3
InChIKeyVITCJCMIKYFLTD-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

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 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine?
The IUPAC name of 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine (CID 66687957) is 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine.
What is the SMILES notation for 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine?
The canonical SMILES for 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine is CC(N)C(Oc1ccc2c(cnn2-c2ccc(F)nc2)c1)c1ccccc1.
What is the InChIKey of 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine?
The InChIKey is VITCJCMIKYFLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-14(23)21(15-5-3-2-4-6-15)27-18-8-9-19-16(11-18)12-25-26(19)17-7-10-20(22)24-13-17/h2-14,21H,23H2,1H3.
What are the key properties of 1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine?
1-[1-(6-fluoro-3-pyridinyl)indazol-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-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-amine is sourced from PubChem (CID 66687957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).