5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid

C27H35F3N4O6S — CID 66722911

IUPAC5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)Cc1cc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)co1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H34N4O4S.C2HF3O2/c1-4-28(5-2)15-20-11-19(16-33-20)18-12-21-23(14-27-24(21)22(13-18)25(26)30)17-7-9-29(10-8-17)34(31,32)6-3;3-2(4,5)1(6)7/h11-14,16-17,27H,4-10,15H2,1-3H3,(H2,26,30);(H,6,7)
InChIKeyHHXRBNKAIOKDMO-UHFFFAOYSA-N
MW600.66 g/mol
LogP4.53
Rot. Bonds9

About 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid

5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 66722911) has the molecular formula C27H35F3N4O6S and a molecular weight of 600.66 g/mol. Its IUPAC name is 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID66722911
Molecular FormulaC27H35F3N4O6S
Molecular Weight600.66 g/mol
Exact Mass600.22
IUPAC Name5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)Cc1cc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)co1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H34N4O4S.C2HF3O2/c1-4-28(5-2)15-20-11-19(16-33-20)18-12-21-23(14-27-24(21)22(13-18)25(26)30)17-7-9-29(10-8-17)34(31,32)6-3;3-2(4,5)1(6)7/h11-14,16-17,27H,4-10,15H2,1-3H3,(H2,26,30);(H,6,7)
InChIKeyHHXRBNKAIOKDMO-UHFFFAOYSA-N
XLogP4.53
TPSA149.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.66
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid (CID 66722911) is 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid is CCN(CC)Cc1cc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)co1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HHXRBNKAIOKDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S.C2HF3O2/c1-4-28(5-2)15-20-11-19(16-33-20)18-12-21-23(14-27-24(21)22(13-18)25(26)30)17-7-9-29(10-8-17)34(31,32)6-3;3-2(4,5)1(6)7/h11-14,16-17,27H,4-10,15H2,1-3H3,(H2,26,30);(H,6,7).
What are the key properties of 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid?
5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 600.66 g/mol, XLogP of 4.53, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(diethylaminomethyl)furan-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66722911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).