(3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile

C19H15F6N3O2 — CID 166783367

IUPAC(3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile
SMILESC[C@]1(C#N)COc2c1cc([C@@](O)(CN)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F6N3O2/c1-16(7-26)9-30-15-12(16)6-13(17(29,8-27)19(23,24)25)28-14(15)10-2-4-11(5-3-10)18(20,21)22/h2-6,29H,8-9,27H2,1H3/t16-,17-/m0/s1
InChIKeyFJVWURRVKODLBN-IRXDYDNUSA-N
MW431.34 g/mol
LogP3.65
Rot. Bonds3

About (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile

(3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile (PubChem CID 166783367) has the molecular formula C19H15F6N3O2 and a molecular weight of 431.34 g/mol. Its IUPAC name is (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile
PubChem CID166783367
Molecular FormulaC19H15F6N3O2
Molecular Weight431.34 g/mol
Exact Mass431.11
IUPAC Name(3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile
SMILESC[C@]1(C#N)COc2c1cc([C@@](O)(CN)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F6N3O2/c1-16(7-26)9-30-15-12(16)6-13(17(29,8-27)19(23,24)25)28-14(15)10-2-4-11(5-3-10)18(20,21)22/h2-6,29H,8-9,27H2,1H3/t16-,17-/m0/s1
InChIKeyFJVWURRVKODLBN-IRXDYDNUSA-N
XLogP3.65
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile with MolForge

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Related Compounds

3-amino-1,1,1-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 166783129
(2S)-3-amino-1,1,1-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
CID 156872640
(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
3-amino-2-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol
CID 145146088
N-[2-[(3S)-3-cyano-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxy-3-fluoroquinoline-6-carboxamide
CID 166783361
3-amino-2-[3-(aminomethyl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1,1,1-trifluoropropan-2-ol;ethane
CID 144795849
N-[2-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 122503109
N-[(2S)-2-[(3S)-3-cyano-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxycyclopropyl]-8-methoxyquinoline-6-carboxamide
CID 156872730
(3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166783203
(3R)-7-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxylic acid
CID 156872655
3-cyano-8-methoxy-N-[3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 166782880
(2S)-3-amino-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-1,1-difluoropropan-2-ol
CID 156872879

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile (CID 166783367) is (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile is C[C@]1(C#N)COc2c1cc([C@@](O)(CN)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile?
The InChIKey is FJVWURRVKODLBN-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H15F6N3O2/c1-16(7-26)9-30-15-12(16)6-13(17(29,8-27)19(23,24)25)28-14(15)10-2-4-11(5-3-10)18(20,21)22/h2-6,29H,8-9,27H2,1H3/t16-,17-/m0/s1.
What are the key properties of (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile?
(3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile has a molecular weight of 431.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[(2S)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 166783367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).