(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol

C21H24F4N2O2 — CID 122501499

IUPAC(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)[C@]1(C)COc2c1cc([C@](O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C21H24F4N2O2/c1-18(2,3)19(4)11-29-17-14(19)9-15(20(28,10-26)21(23,24)25)27-16(17)12-5-7-13(22)8-6-12/h5-9,28H,10-11,26H2,1-4H3/t19-,20-/m1/s1
InChIKeyWGJKBFFIYSAAGZ-WOJBJXKFSA-N
MW412.43 g/mol
LogP4.29
Rot. Bonds3

About (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol

(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 122501499) has the molecular formula C21H24F4N2O2 and a molecular weight of 412.43 g/mol. Its IUPAC name is (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID122501499
Molecular FormulaC21H24F4N2O2
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC Name(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(C)[C@]1(C)COc2c1cc([C@](O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C21H24F4N2O2/c1-18(2,3)19(4)11-29-17-14(19)9-15(20(28,10-26)21(23,24)25)27-16(17)12-5-7-13(22)8-6-12/h5-9,28H,10-11,26H2,1-4H3/t19-,20-/m1/s1
InChIKeyWGJKBFFIYSAAGZ-WOJBJXKFSA-N
XLogP4.29
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol (CID 122501499) is (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol is CC(C)(C)[C@]1(C)COc2c1cc([C@](O)(CN)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is WGJKBFFIYSAAGZ-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24F4N2O2/c1-18(2,3)19(4)11-29-17-14(19)9-15(20(28,10-26)21(23,24)25)27-16(17)12-5-7-13(22)8-6-12/h5-9,28H,10-11,26H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol?
(2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 412.43 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-[(3S)-3-tert-butyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 122501499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).