1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid

C20H24F3N3O5 — CID 155860898

IUPAC1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1cncc(C(=O)N2C[C@@H]3[C@H](CN4CCCC4=O)CO[C@@H]3C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O3.C2HF3O2/c1-12-5-13(7-19-6-12)18(23)21-9-15-14(11-24-16(15)10-21)8-20-4-2-3-17(20)22;3-2(4,5)1(6)7/h5-7,14-16H,2-4,8-11H2,1H3;(H,6,7)/t14-,15-,16-;/m1./s1
InChIKeyMUIDMHMEDOXSJL-UDHFTORSSA-N
MW443.42 g/mol
LogP1.73
Rot. Bonds3

About 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid

1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 155860898) has the molecular formula C20H24F3N3O5 and a molecular weight of 443.42 g/mol. Its IUPAC name is 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID155860898
Molecular FormulaC20H24F3N3O5
Molecular Weight443.42 g/mol
Exact Mass443.17
IUPAC Name1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
SMILESCc1cncc(C(=O)N2C[C@@H]3[C@H](CN4CCCC4=O)CO[C@@H]3C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O3.C2HF3O2/c1-12-5-13(7-19-6-12)18(23)21-9-15-14(11-24-16(15)10-21)8-20-4-2-3-17(20)22;3-2(4,5)1(6)7/h5-7,14-16H,2-4,8-11H2,1H3;(H,6,7)/t14-,15-,16-;/m1./s1
InChIKeyMUIDMHMEDOXSJL-UDHFTORSSA-N
XLogP1.73
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[[(3R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155830734
1-[[(3R,3aS,6aS)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 155848131
1-[[(3S,3aS,6aS)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155851991
1-[[(3R,3aR,6aR)-5-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124808025
1-[[(3R,3aR,6aR)-5-(4-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124916372
1-[[(3R,3aR,6aR)-5-[(4-chloro-3-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124806695
[(3R,3aS,6aS)-3-[(dimethylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(3-methylfuran-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155859334
N-[[(3R,3aS,6aS)-5-(3-methyl-1-benzofuran-2-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155860235
[(3S,3aS,6aS)-3-[(pyridin-2-ylamino)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 171694204
N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155863393
N-[7-(5-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155866198
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-3-pyridinyl)methanone
CID 81458199

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid (CID 155860898) is 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid is Cc1cncc(C(=O)N2C[C@@H]3[C@H](CN4CCCC4=O)CO[C@@H]3C2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is MUIDMHMEDOXSJL-UDHFTORSSA-N. The full InChI is InChI=1S/C18H23N3O3.C2HF3O2/c1-12-5-13(7-19-6-12)18(23)21-9-15-14(11-24-16(15)10-21)8-20-4-2-3-17(20)22;3-2(4,5)1(6)7/h5-7,14-16H,2-4,8-11H2,1H3;(H,6,7)/t14-,15-,16-;/m1./s1.
What are the key properties of 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid?
1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 443.42 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).