4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide

C26H26FN3O2 — CID 93019607

IUPAC4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCN1CC[C@H](N(C)C(=O)c2cc3oc(-c4ccc(F)cc4)cc3n2Cc2ccccc2)C1
InChIInChI=1S/C26H26FN3O2/c1-28-13-12-21(17-28)29(2)26(31)23-15-25-22(30(23)16-18-6-4-3-5-7-18)14-24(32-25)19-8-10-20(27)11-9-19/h3-11,14-15,21H,12-13,16-17H2,1-2H3/t21-/m0/s1
InChIKeyKSQCUXFSPXHESB-NRFANRHFSA-N
MW431.51 g/mol
LogP4.86
Rot. Bonds5

About 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide

4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 93019607) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID93019607
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCN1CC[C@H](N(C)C(=O)c2cc3oc(-c4ccc(F)cc4)cc3n2Cc2ccccc2)C1
InChIInChI=1S/C26H26FN3O2/c1-28-13-12-21(17-28)29(2)26(31)23-15-25-22(30(23)16-18-6-4-3-5-7-18)14-24(32-25)19-8-10-20(27)11-9-19/h3-11,14-15,21H,12-13,16-17H2,1-2H3/t21-/m0/s1
InChIKeyKSQCUXFSPXHESB-NRFANRHFSA-N
XLogP4.86
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide (CID 93019607) is 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide is CN1CC[C@H](N(C)C(=O)c2cc3oc(-c4ccc(F)cc4)cc3n2Cc2ccccc2)C1.
What is the InChIKey of 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KSQCUXFSPXHESB-NRFANRHFSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-28-13-12-21(17-28)29(2)26(31)23-15-25-22(30(23)16-18-6-4-3-5-7-18)14-24(32-25)19-8-10-20(27)11-9-19/h3-11,14-15,21H,12-13,16-17H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide?
4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-fluorophenyl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 93019607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).