2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol

C19H22F2N2O2 — CID 166519722

IUPAC2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILES[2H]C([2H])(N)C(O)(c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C19H22F2N2O2/c1-18(2,24)14-9-15(19(25,10-22)12-5-6-12)23-17(16(14)21)11-3-7-13(20)8-4-11/h3-4,7-9,12,24-25H,5-6,10,22H2,1-2H3/i10D2
InChIKeyMJERPJAGJTXTFC-KBMKNGFXSA-N
MW350.41 g/mol
LogP2.81
Rot. Bonds5

About 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol

2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (PubChem CID 166519722) has the molecular formula C19H22F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
PubChem CID166519722
Molecular FormulaC19H22F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILES[2H]C([2H])(N)C(O)(c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C19H22F2N2O2/c1-18(2,24)14-9-15(19(25,10-22)12-5-6-12)23-17(16(14)21)11-3-7-13(20)8-4-11/h3-4,7-9,12,24-25H,5-6,10,22H2,1-2H3/i10D2
InChIKeyMJERPJAGJTXTFC-KBMKNGFXSA-N
XLogP2.81
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (CID 166519722) is 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is [2H]C([2H])(N)C(O)(c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The InChIKey is MJERPJAGJTXTFC-KBMKNGFXSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c1-18(2,24)14-9-15(19(25,10-22)12-5-6-12)23-17(16(14)21)11-3-7-13(20)8-4-11/h3-4,7-9,12,24-25H,5-6,10,22H2,1-2H3/i10D2.
What are the key properties of 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol has a molecular weight of 350.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-amino-1-cyclopropyl-2,2-dideuterio-1-hydroxyethyl)-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 166519722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).