(4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one

C22H23FN4O2 — CID 42454129

IUPAC(4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
SMILESCOc1ccc(-n2cccn2)c(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-20-6-7-21(27-9-3-8-25-27)17(11-20)13-24-19-12-22(28)26(15-19)14-16-4-2-5-18(23)10-16/h2-11,19,24H,12-15H2,1H3/t19-/m1/s1
InChIKeyCHPNACQQKSJABO-LJQANCHMSA-N
MW394.45 g/mol
LogP2.91
Rot. Bonds7

About (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one

(4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one (PubChem CID 42454129) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
PubChem CID42454129
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name(4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
SMILESCOc1ccc(-n2cccn2)c(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-20-6-7-21(27-9-3-8-25-27)17(11-20)13-24-19-12-22(28)26(15-19)14-16-4-2-5-18(23)10-16/h2-11,19,24H,12-15H2,1H3/t19-/m1/s1
InChIKeyCHPNACQQKSJABO-LJQANCHMSA-N
XLogP2.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 42195659
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 45209241
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 25292872
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
CID 42240654
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
N-[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 42528068
(4S)-1-[(3-fluorophenyl)methyl]-4-(4,4,4-trifluorobutylamino)pyrrolidin-2-one
CID 42356456
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825
N-[[1-[(3-fluorophenyl)methyl]-6-methoxyindol-3-yl]methyl]cyclopropanamine
CID 58171024
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one (CID 42454129) is (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one is COc1ccc(-n2cccn2)c(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1.
What is the InChIKey of (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
The InChIKey is CHPNACQQKSJABO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-20-6-7-21(27-9-3-8-25-27)17(11-20)13-24-19-12-22(28)26(15-19)14-16-4-2-5-18(23)10-16/h2-11,19,24H,12-15H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one?
(4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one has a molecular weight of 394.45 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 42454129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).