4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C21H20FN5O3 — CID 92567066

IUPAC4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3cccc(F)c3)c2N)cc1=O
InChIInChI=1S/C21H20FN5O3/c1-25-9-7-13(10-18(25)28)21(30)26-8-3-6-17(26)19(29)16-12-24-27(20(16)23)15-5-2-4-14(22)11-15/h2,4-5,7,9-12,17H,3,6,8,23H2,1H3/t17-/m1/s1
InChIKeyPTUOSPSVCIZVBW-QGZVFWFLSA-N
MW409.42 g/mol
LogP1.78
Rot. Bonds4

About 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 92567066) has the molecular formula C21H20FN5O3 and a molecular weight of 409.42 g/mol. Its IUPAC name is 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID92567066
Molecular FormulaC21H20FN5O3
Molecular Weight409.42 g/mol
Exact Mass409.16
IUPAC Name4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3cccc(F)c3)c2N)cc1=O
InChIInChI=1S/C21H20FN5O3/c1-25-9-7-13(10-18(25)28)21(30)26-8-3-6-17(26)19(29)16-12-24-27(20(16)23)15-5-2-4-14(22)11-15/h2,4-5,7,9-12,17H,3,6,8,23H2,1H3/t17-/m1/s1
InChIKeyPTUOSPSVCIZVBW-QGZVFWFLSA-N
XLogP1.78
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 110239841
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[(2R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 92595192
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239831
N-[2-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110239838
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92575873
(5-amino-1-phenylpyrazol-4-yl)-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239808
(5-amino-1-phenylpyrazol-4-yl)-[(2S)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594885
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594883
1-(1-methyl-2-oxopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 43356068
[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558469
[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558468
1-[2-[2-[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 110239852

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 92567066) is 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3cccc(F)c3)c2N)cc1=O.
What is the InChIKey of 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is PTUOSPSVCIZVBW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20FN5O3/c1-25-9-7-13(10-18(25)28)21(30)26-8-3-6-17(26)19(29)16-12-24-27(20(16)23)15-5-2-4-14(22)11-15/h2,4-5,7,9-12,17H,3,6,8,23H2,1H3/t17-/m1/s1.
What are the key properties of 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 409.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 92567066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).