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

C19H21F3N2O2 — CID 166792991

IUPAC2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(O)[C@H](N)C2(F)CC2)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C19H21F3N2O2/c1-18(2,26)12-9-13(16(25)17(23)19(22)7-8-19)24-15(14(12)21)10-3-5-11(20)6-4-10/h3-6,9,16-17,25-26H,7-8,23H2,1-2H3/t16?,17-/m0/s1
InChIKeyHSXMVTTVFVZNOI-DJNXLDHESA-N
MW366.38 g/mol
LogP3.12
Rot. Bonds5

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

2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (PubChem CID 166792991) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
PubChem CID166792991
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(O)[C@H](N)C2(F)CC2)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C19H21F3N2O2/c1-18(2,26)12-9-13(16(25)17(23)19(22)7-8-19)24-15(14(12)21)10-3-5-11(20)6-4-10/h3-6,9,16-17,25-26H,7-8,23H2,1-2H3/t16?,17-/m0/s1
InChIKeyHSXMVTTVFVZNOI-DJNXLDHESA-N
XLogP3.12
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (CID 166792991) is 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is CC(C)(O)c1cc(C(O)[C@H](N)C2(F)CC2)nc(-c2ccc(F)cc2)c1F.
What is the InChIKey of 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The InChIKey is HSXMVTTVFVZNOI-DJNXLDHESA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-18(2,26)12-9-13(16(25)17(23)19(22)7-8-19)24-15(14(12)21)10-3-5-11(20)6-4-10/h3-6,9,16-17,25-26H,7-8,23H2,1-2H3/t16?,17-/m0/s1.
What are the key properties of 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol has a molecular weight of 366.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2S)-2-amino-2-(1-fluorocyclopropyl)-1-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 166792991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).