cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid

C20H26F3N3O4S — CID 118743148

IUPACcyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)C1CCN(C(=O)c2cc3c(s2)CCN3C(=O)C2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O2S.C2HF3O2/c1-19(2)13-5-8-20(9-6-13)18(23)16-11-14-15(24-16)7-10-21(14)17(22)12-3-4-12;3-2(4,5)1(6)7/h11-13H,3-10H2,1-2H3;(H,6,7)
InChIKeyUELZJTJZLYZBNQ-UHFFFAOYSA-N
MW461.51 g/mol
LogP2.85
Rot. Bonds3

About cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid

cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 118743148) has the molecular formula C20H26F3N3O4S and a molecular weight of 461.51 g/mol. Its IUPAC name is cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID118743148
Molecular FormulaC20H26F3N3O4S
Molecular Weight461.51 g/mol
Exact Mass461.16
IUPAC Namecyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCN(C)C1CCN(C(=O)c2cc3c(s2)CCN3C(=O)C2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N3O2S.C2HF3O2/c1-19(2)13-5-8-20(9-6-13)18(23)16-11-14-15(24-16)7-10-21(14)17(22)12-3-4-12;3-2(4,5)1(6)7/h11-13H,3-10H2,1-2H3;(H,6,7)
InChIKeyUELZJTJZLYZBNQ-UHFFFAOYSA-N
XLogP2.85
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;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

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid (CID 118743148) is cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid is CN(C)C1CCN(C(=O)c2cc3c(s2)CCN3C(=O)C2CC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is UELZJTJZLYZBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.C2HF3O2/c1-19(2)13-5-8-20(9-6-13)18(23)16-11-14-15(24-16)7-10-21(14)17(22)12-3-4-12;3-2(4,5)1(6)7/h11-13H,3-10H2,1-2H3;(H,6,7).
What are the key properties of cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid?
cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 461.51 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).