[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone

C20H20F2N2O2 — CID 7112965

IUPAC[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3occc3n2Cc2cccc(F)c2F)CC1
InChIInChI=1S/C20H20F2N2O2/c1-13-5-8-23(9-6-13)20(25)17-11-18-16(7-10-26-18)24(17)12-14-3-2-4-15(21)19(14)22/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3
InChIKeyIMIHYBUELSEQNF-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.43
Rot. Bonds3

About [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone

[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 7112965) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID7112965
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3occc3n2Cc2cccc(F)c2F)CC1
InChIInChI=1S/C20H20F2N2O2/c1-13-5-8-23(9-6-13)20(25)17-11-18-16(7-10-26-18)24(17)12-14-3-2-4-15(21)19(14)22/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3
InChIKeyIMIHYBUELSEQNF-UHFFFAOYSA-N
XLogP4.43
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(3-phenoxypropyl)furo[3,2-b]pyrrol-5-yl]methanone
CID 42792619
ethyl 1-[4-[(3-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 42790857
1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42790770
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791146
[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42790712
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
2-[(2,3-difluorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 78820307
[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42667282
[4-(cyclobutylmethyl)furo[3,2-b]pyrrol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42792643
[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 42790972
ethyl 4-[4-(cyclobutylmethyl)furo[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
CID 3630000

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 7112965) is [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc3occc3n2Cc2cccc(F)c2F)CC1.
What is the InChIKey of [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IMIHYBUELSEQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13-5-8-23(9-6-13)20(25)17-11-18-16(7-10-26-18)24(17)12-14-3-2-4-15(21)19(14)22/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3.
What are the key properties of [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone?
[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 358.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 7112965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).