(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

C19H24F4N2O4 — CID 127021462

IUPAC(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23FN2O2.C2HF3O2/c1-19(2)17(21)13-9-16-15(7-8-22-16)20(11-13)10-12-3-5-14(18)6-4-12;3-2(4,5)1(6)7/h3-6,13,15-16H,7-11H2,1-2H3;(H,6,7)/t13-,15+,16+;/m0./s1
InChIKeySPAIRBFAFILQTP-QALYCTJVSA-N
MW420.40 g/mol
LogP2.53
Rot. Bonds3

About (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 127021462) has the molecular formula C19H24F4N2O4 and a molecular weight of 420.40 g/mol. Its IUPAC name is (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID127021462
Molecular FormulaC19H24F4N2O4
Molecular Weight420.40 g/mol
Exact Mass420.17
IUPAC Name(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23FN2O2.C2HF3O2/c1-19(2)17(21)13-9-16-15(7-8-22-16)20(11-13)10-12-3-5-14(18)6-4-12;3-2(4,5)1(6)7/h3-6,13,15-16H,7-11H2,1-2H3;(H,6,7)/t13-,15+,16+;/m0./s1
InChIKeySPAIRBFAFILQTP-QALYCTJVSA-N
XLogP2.53
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

[(3aR,6S,7aR)-4-[(2-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97365110
(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380349
(3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380364
[(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone
CID 97380376
(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97404098
[(3aR,5R,7aR)-1-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021575
2-[[(3S,3aS,7aR)-1-[(3-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127021737
2-[[(3S,3aS,7aR)-1-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127021917
2-[[(3R,3aS,7aR)-1-[(2-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127022054
[(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127022103
[(3aR,6S,7aR)-4-(2-phenylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127022105
[(3aR,7aR)-5-[(3-fluorophenyl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 127022260

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 127021462) is (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SPAIRBFAFILQTP-QALYCTJVSA-N. The full InChI is InChI=1S/C17H23FN2O2.C2HF3O2/c1-19(2)17(21)13-9-16-15(7-8-22-16)20(11-13)10-12-3-5-14(18)6-4-12;3-2(4,5)1(6)7/h3-6,13,15-16H,7-11H2,1-2H3;(H,6,7)/t13-,15+,16+;/m0./s1.
What are the key properties of (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?
(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 420.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127021462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).