N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H20FN5O2 — CID 43064309

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CC(=O)N(c4ccccc4F)C3)cn2)n1
InChIInChI=1S/C21H20FN5O2/c1-13-9-14(2)27(25-13)19-8-7-16(11-23-19)24-21(29)15-10-20(28)26(12-15)18-6-4-3-5-17(18)22/h3-9,11,15H,10,12H2,1-2H3,(H,24,29)
InChIKeyZUCZDCIWPHHPDT-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.01
Rot. Bonds4

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43064309) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43064309
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CC(=O)N(c4ccccc4F)C3)cn2)n1
InChIInChI=1S/C21H20FN5O2/c1-13-9-14(2)27(25-13)19-8-7-16(11-23-19)24-21(29)15-10-20(28)26(12-15)18-6-4-3-5-17(18)22/h3-9,11,15H,10,12H2,1-2H3,(H,24,29)
InChIKeyZUCZDCIWPHHPDT-UHFFFAOYSA-N
XLogP3.01
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 43064309) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CC(=O)N(c4ccccc4F)C3)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZUCZDCIWPHHPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-13-9-14(2)27(25-13)19-8-7-16(11-23-19)24-21(29)15-10-20(28)26(12-15)18-6-4-3-5-17(18)22/h3-9,11,15H,10,12H2,1-2H3,(H,24,29).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43064309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).