1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C25H25FN4O2 — CID 18580545

IUPAC1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(N2CC(NC(=O)N3CCn4cccc4C3c3ccccc3F)CC2=O)cc1
InChIInChI=1S/C25H25FN4O2/c1-17-8-10-19(11-9-17)30-16-18(15-23(30)31)27-25(32)29-14-13-28-12-4-7-22(28)24(29)20-5-2-3-6-21(20)26/h2-12,18,24H,13-16H2,1H3,(H,27,32)
InChIKeyKWTOAWSCGSSQQM-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.86
Rot. Bonds3

About 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 18580545) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID18580545
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(N2CC(NC(=O)N3CCn4cccc4C3c3ccccc3F)CC2=O)cc1
InChIInChI=1S/C25H25FN4O2/c1-17-8-10-19(11-9-17)30-16-18(15-23(30)31)27-25(32)29-14-13-28-12-4-7-22(28)24(29)20-5-2-3-6-21(20)26/h2-12,18,24H,13-16H2,1H3,(H,27,32)
InChIKeyKWTOAWSCGSSQQM-UHFFFAOYSA-N
XLogP3.86
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 18580545) is 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc(N2CC(NC(=O)N3CCn4cccc4C3c3ccccc3F)CC2=O)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is KWTOAWSCGSSQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-17-8-10-19(11-9-17)30-16-18(15-23(30)31)27-25(32)29-14-13-28-12-4-7-22(28)24(29)20-5-2-3-6-21(20)26/h2-12,18,24H,13-16H2,1H3,(H,27,32).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 18580545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).