4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide

C22H25F2N3O2 — CID 42791492

IUPAC4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCN3CCCCC3)n2Cc2ccc(F)c(F)c2)o1
InChIInChI=1S/C22H25F2N3O2/c1-15-11-19-21(29-15)13-20(22(28)25-7-10-26-8-3-2-4-9-26)27(19)14-16-5-6-17(23)18(24)12-16/h5-6,11-13H,2-4,7-10,14H2,1H3,(H,25,28)
InChIKeyFZMBBKIWADUHSV-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.08
Rot. Bonds6

About 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide

4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791492) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42791492
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCN3CCCCC3)n2Cc2ccc(F)c(F)c2)o1
InChIInChI=1S/C22H25F2N3O2/c1-15-11-19-21(29-15)13-20(22(28)25-7-10-26-8-3-2-4-9-26)27(19)14-16-5-6-17(23)18(24)12-16/h5-6,11-13H,2-4,7-10,14H2,1H3,(H,25,28)
InChIKeyFZMBBKIWADUHSV-UHFFFAOYSA-N
XLogP4.08
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172
4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791595
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
2-methyl-N-propyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791228
4-[(4-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylic acid
CID 122176392
N-(2-methoxyethyl)-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791246
4-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791614
4-[(2,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 7416009
N-cyclohexyl-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42791222
4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791148

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42791492) is 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCCN3CCCCC3)n2Cc2ccc(F)c(F)c2)o1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is FZMBBKIWADUHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c1-15-11-19-21(29-15)13-20(22(28)25-7-10-26-8-3-2-4-9-26)27(19)14-16-5-6-17(23)18(24)12-16/h5-6,11-13H,2-4,7-10,14H2,1H3,(H,25,28).
What are the key properties of 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).