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

C25H24F3N3O6 — CID 155860235

IUPACN-[[(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
SMILESCc1c(C(=O)N2C[C@@H]3[C@H](CNC(=O)c4ccncc4)CO[C@@H]3C2)oc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23N3O4.C2HF3O2/c1-14-17-4-2-3-5-19(17)30-21(14)23(28)26-11-18-16(13-29-20(18)12-26)10-25-22(27)15-6-8-24-9-7-15;3-2(4,5)1(6)7/h2-9,16,18,20H,10-13H2,1H3,(H,25,27);(H,6,7)/t16-,18-,20-;/m1./s1
InChIKeyNYMJFYFIDPLTFT-BUDAEHISSA-N
MW519.48 g/mol
LogP3.29
Rot. Bonds4

About 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

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 (PubChem CID 155860235) has the molecular formula C25H24F3N3O6 and a molecular weight of 519.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID155860235
Molecular FormulaC25H24F3N3O6
Molecular Weight519.48 g/mol
Exact Mass519.16
IUPAC NameN-[[(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
SMILESCc1c(C(=O)N2C[C@@H]3[C@H](CNC(=O)c4ccncc4)CO[C@@H]3C2)oc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23N3O4.C2HF3O2/c1-14-17-4-2-3-5-19(17)30-21(14)23(28)26-11-18-16(13-29-20(18)12-26)10-25-22(27)15-6-8-24-9-7-15;3-2(4,5)1(6)7/h2-9,16,18,20H,10-13H2,1H3,(H,25,27);(H,6,7)/t16-,18-,20-;/m1./s1
InChIKeyNYMJFYFIDPLTFT-BUDAEHISSA-N
XLogP3.29
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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

N-[[(3S,3aS,6aS)-5-(3-methylbutanoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155862057
N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155868561
N-[[(3R,3aS,6aS)-5-(2-ethoxyacetyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155863921
N-[[(3S,3aS,6aS)-5-(1-fluorocyclobutanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155859357
N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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 155865194
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-[[(3S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155847672
N-[[(3S,3aS,6aS)-5-propan-2-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155865580
N-[[(3R,3aS,6aS)-5-(pyridine-2-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155845110
[(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-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155851965
N-[[(3R,3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155863745

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(=O)N2C[C@@H]3[C@H](CNC(=O)c4ccncc4)CO[C@@H]3C2)oc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is NYMJFYFIDPLTFT-BUDAEHISSA-N. The full InChI is InChI=1S/C23H23N3O4.C2HF3O2/c1-14-17-4-2-3-5-19(17)30-21(14)23(28)26-11-18-16(13-29-20(18)12-26)10-25-22(27)15-6-8-24-9-7-15;3-2(4,5)1(6)7/h2-9,16,18,20H,10-13H2,1H3,(H,25,27);(H,6,7)/t16-,18-,20-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 519.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155860235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).