1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide

C23H24FN5O3 — CID 172906652

IUPAC1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(CN2CC(CNC(=O)c3nnn(-c4ccc(F)cc4)c3C)CC2=O)cc1
InChIInChI=1S/C23H24FN5O3/c1-15-22(26-27-29(15)19-7-5-18(24)6-8-19)23(31)25-12-17-11-21(30)28(14-17)13-16-3-9-20(32-2)10-4-16/h3-10,17H,11-14H2,1-2H3,(H,25,31)
InChIKeyZMFMOYYJZINWHG-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.50
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide

1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide (PubChem CID 172906652) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
PubChem CID172906652
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(CN2CC(CNC(=O)c3nnn(-c4ccc(F)cc4)c3C)CC2=O)cc1
InChIInChI=1S/C23H24FN5O3/c1-15-22(26-27-29(15)19-7-5-18(24)6-8-19)23(31)25-12-17-11-21(30)28(14-17)13-16-3-9-20(32-2)10-4-16/h3-10,17H,11-14H2,1-2H3,(H,25,31)
InChIKeyZMFMOYYJZINWHG-UHFFFAOYSA-N
XLogP2.50
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dimethylphenyl)-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 172906677
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919398
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
N-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-2-methoxyacetamide
CID 40911335
1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 86954919
ethyl 2-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methylamino]-2-oxoacetate
CID 16919419
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]butanamide
CID 16919406
1-[(3,4-dimethoxyphenyl)methyl]-3-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920373
2-ethoxy-N-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16919418
(Z)-N-[[(3R)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]but-2-enamide
CID 40911334
1-(4-fluorophenyl)-3-[[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]urea
CID 40923279

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide (CID 172906652) is 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide is COc1ccc(CN2CC(CNC(=O)c3nnn(-c4ccc(F)cc4)c3C)CC2=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is ZMFMOYYJZINWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-15-22(26-27-29(15)19-7-5-18(24)6-8-19)23(31)25-12-17-11-21(30)28(14-17)13-16-3-9-20(32-2)10-4-16/h3-10,17H,11-14H2,1-2H3,(H,25,31).
What are the key properties of 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 172906652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).