N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide

C24H24F2N4O — CID 46891216

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(c2cnccn2)C1
InChIInChI=1S/C24H24F2N4O/c25-20-5-1-17(2-6-20)22(18-3-7-21(26)8-4-18)9-11-29-24(31)30-14-10-19(16-30)23-15-27-12-13-28-23/h1-8,12-13,15,19,22H,9-11,14,16H2,(H,29,31)
InChIKeySHGFMISVWSSDPI-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.48
Rot. Bonds6

About N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide

N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide (PubChem CID 46891216) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide
PubChem CID46891216
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(c2cnccn2)C1
InChIInChI=1S/C24H24F2N4O/c25-20-5-1-17(2-6-20)22(18-3-7-21(26)8-4-18)9-11-29-24(31)30-14-10-19(16-30)23-15-27-12-13-28-23/h1-8,12-13,15,19,22H,9-11,14,16H2,(H,29,31)
InChIKeySHGFMISVWSSDPI-UHFFFAOYSA-N
XLogP4.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide (CID 46891216) is N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide is O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(c2cnccn2)C1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide?
The InChIKey is SHGFMISVWSSDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O/c25-20-5-1-17(2-6-20)22(18-3-7-21(26)8-4-18)9-11-29-24(31)30-14-10-19(16-30)23-15-27-12-13-28-23/h1-8,12-13,15,19,22H,9-11,14,16H2,(H,29,31).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide?
N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 46891216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).