2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol

C19H22F2N2O — CID 156896004

IUPAC2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(CN)C2CC2)nc(-c2cccc(F)c2)c1F
InChIInChI=1S/C19H22F2N2O/c1-19(2,24)15-9-16(14(10-22)11-6-7-11)23-18(17(15)21)12-4-3-5-13(20)8-12/h3-5,8-9,11,14,24H,6-7,10,22H2,1-2H3
InChIKeyGIJBUNPNJFNFIW-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.71
Rot. Bonds5

About 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol

2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol (PubChem CID 156896004) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol
PubChem CID156896004
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(CN)C2CC2)nc(-c2cccc(F)c2)c1F
InChIInChI=1S/C19H22F2N2O/c1-19(2,24)15-9-16(14(10-22)11-6-7-11)23-18(17(15)21)12-4-3-5-13(20)8-12/h3-5,8-9,11,14,24H,6-7,10,22H2,1-2H3
InChIKeyGIJBUNPNJFNFIW-UHFFFAOYSA-N
XLogP3.71
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol (CID 156896004) is 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol is CC(C)(O)c1cc(C(CN)C2CC2)nc(-c2cccc(F)c2)c1F.
What is the InChIKey of 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol?
The InChIKey is GIJBUNPNJFNFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-19(2,24)15-9-16(14(10-22)11-6-7-11)23-18(17(15)21)12-4-3-5-13(20)8-12/h3-5,8-9,11,14,24H,6-7,10,22H2,1-2H3.
What are the key properties of 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol?
2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol has a molecular weight of 332.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-amino-1-cyclopropylethyl)-3-fluoro-2-(3-fluorophenyl)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 156896004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).