2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol

C19H24FN3O2 — CID 176914426

IUPAC2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)cc(/C=C/c2ccc(N)c(C(C)(C)O)n2)c1N
InChIInChI=1S/C19H24FN3O2/c1-18(2,24)14-10-12(20)9-11(16(14)22)5-6-13-7-8-15(21)17(23-13)19(3,4)25/h5-10,24-25H,21-22H2,1-4H3/b6-5+
InChIKeyOMVCJGKLSHNTPD-AATRIKPKSA-N
MW345.42 g/mol
LogP3.01
Rot. Bonds4

About 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol

2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol (PubChem CID 176914426) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol
PubChem CID176914426
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol
SMILESCC(C)(O)c1cc(F)cc(/C=C/c2ccc(N)c(C(C)(C)O)n2)c1N
InChIInChI=1S/C19H24FN3O2/c1-18(2,24)14-10-12(20)9-11(16(14)22)5-6-13-7-8-15(21)17(23-13)19(3,4)25/h5-10,24-25H,21-22H2,1-4H3/b6-5+
InChIKeyOMVCJGKLSHNTPD-AATRIKPKSA-N
XLogP3.01
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol (CID 176914426) is 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol is CC(C)(O)c1cc(F)cc(/C=C/c2ccc(N)c(C(C)(C)O)n2)c1N.
What is the InChIKey of 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol?
The InChIKey is OMVCJGKLSHNTPD-AATRIKPKSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-18(2,24)14-10-12(20)9-11(16(14)22)5-6-13-7-8-15(21)17(23-13)19(3,4)25/h5-10,24-25H,21-22H2,1-4H3/b6-5+.
What are the key properties of 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol?
2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol has a molecular weight of 345.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-[(E)-2-[5-amino-6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethenyl]-5-fluorophenyl]propan-2-ol is sourced from PubChem (CID 176914426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).