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

C19H21F3N2O2 — CID 166792977

IUPAC2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(CC(N)(O)C2CC2F)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C19H21F3N2O2/c1-18(2,25)14-7-12(9-19(23,26)13-8-15(13)21)24-17(16(14)22)10-3-5-11(20)6-4-10/h3-7,13,15,25-26H,8-9,23H2,1-2H3
InChIKeyNABOORJAMDIFJT-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.80
Rot. Bonds5

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

2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (PubChem CID 166792977) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
PubChem CID166792977
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(CC(N)(O)C2CC2F)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C19H21F3N2O2/c1-18(2,25)14-7-12(9-19(23,26)13-8-15(13)21)24-17(16(14)22)10-3-5-11(20)6-4-10/h3-7,13,15,25-26H,8-9,23H2,1-2H3
InChIKeyNABOORJAMDIFJT-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol (CID 166792977) is 2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is CC(C)(O)c1cc(CC(N)(O)C2CC2F)nc(-c2ccc(F)cc2)c1F.
What is the InChIKey of 2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
The InChIKey is NABOORJAMDIFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-18(2,25)14-7-12(9-19(23,26)13-8-15(13)21)24-17(16(14)22)10-3-5-11(20)6-4-10/h3-7,13,15,25-26H,8-9,23H2,1-2H3.
What are the key properties of 2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol?
2-[6-[2-amino-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol has a molecular weight of 366.38 g/mol, XLogP of 2.80, 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-2-(2-fluorocyclopropyl)-2-hydroxyethyl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 166792977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).