5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide

C25H25F3N4O4 — CID 134085455

IUPAC5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C25H25F3N4O4/c1-16-18(23(29)34)13-20(32(16)14-17-5-2-3-6-19(17)25(26,27)28)21(33)15-30-8-10-31(11-9-30)24(35)22-7-4-12-36-22/h2-7,12-13H,8-11,14-15H2,1H3,(H2,29,34)
InChIKeyIXUWQBVDMAKFDJ-UHFFFAOYSA-N
MW502.49 g/mol
LogP3.20
Rot. Bonds7

About 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide

5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide (PubChem CID 134085455) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
PubChem CID134085455
Molecular FormulaC25H25F3N4O4
Molecular Weight502.49 g/mol
Exact Mass502.18
IUPAC Name5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)n1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C25H25F3N4O4/c1-16-18(23(29)34)13-20(32(16)14-17-5-2-3-6-19(17)25(26,27)28)21(33)15-30-8-10-31(11-9-30)24(35)22-7-4-12-36-22/h2-7,12-13H,8-11,14-15H2,1H3,(H2,29,34)
InChIKeyIXUWQBVDMAKFDJ-UHFFFAOYSA-N
XLogP3.20
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 134083283
N-benzyl-4-[2-[4-carbamoyl-1-[(2-fluorophenyl)methyl]-5-methylpyrrol-2-yl]-2-oxoethyl]piperazine-1-carboxamide
CID 134083391
4-[2-[4-carbamoyl-1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 134083400
2-methyl-5-[2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole-3-carboxamide
CID 134083171
5-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134083164
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 55543544
4-[2-[4-carbamoyl-5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-2-yl]-2-oxoethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 134083415
2-methyl-5-[2-(4-propan-2-ylsulfonylpiperazin-1-yl)acetyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole-3-carboxamide
CID 134083306
6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 4316106
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 945225
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
4-[2-[4-carbamoyl-5-methyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-2-oxoethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 134083349

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide?
The IUPAC name of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide (CID 134085455) is 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)n1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide?
The InChIKey is IXUWQBVDMAKFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-16-18(23(29)34)13-20(32(16)14-17-5-2-3-6-19(17)25(26,27)28)21(33)15-30-8-10-31(11-9-30)24(35)22-7-4-12-36-22/h2-7,12-13H,8-11,14-15H2,1H3,(H2,29,34).
What are the key properties of 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide?
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide has a molecular weight of 502.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 134085455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).