1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea

C15H17FN6O2 — CID 124570182

IUPAC1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea
SMILESCc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cn3)C2=O)n(C)n1
InChIInChI=1S/C15H17FN6O2/c1-9-7-13(21(2)20-9)22-6-5-11(14(22)23)18-15(24)19-12-4-3-10(16)8-17-12/h3-4,7-8,11H,5-6H2,1-2H3,(H2,17,18,19,24)/t11-/m1/s1
InChIKeyZMFGTLNUFXHIEB-LLVKDONJSA-N
MW332.34 g/mol
LogP1.19
Rot. Bonds3

About 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea

1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea (PubChem CID 124570182) has the molecular formula C15H17FN6O2 and a molecular weight of 332.34 g/mol. Its IUPAC name is 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea
PubChem CID124570182
Molecular FormulaC15H17FN6O2
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea
SMILESCc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cn3)C2=O)n(C)n1
InChIInChI=1S/C15H17FN6O2/c1-9-7-13(21(2)20-9)22-6-5-11(14(22)23)18-15(24)19-12-4-3-10(16)8-17-12/h3-4,7-8,11H,5-6H2,1-2H3,(H2,17,18,19,24)/t11-/m1/s1
InChIKeyZMFGTLNUFXHIEB-LLVKDONJSA-N
XLogP1.19
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea?
The IUPAC name of 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea (CID 124570182) is 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea.
What is the SMILES notation for 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea?
The canonical SMILES for 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea is Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cn3)C2=O)n(C)n1.
What is the InChIKey of 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea?
The InChIKey is ZMFGTLNUFXHIEB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN6O2/c1-9-7-13(21(2)20-9)22-6-5-11(14(22)23)18-15(24)19-12-4-3-10(16)8-17-12/h3-4,7-8,11H,5-6H2,1-2H3,(H2,17,18,19,24)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea?
1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea has a molecular weight of 332.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]-3-(5-fluoro-2-pyridinyl)urea is sourced from PubChem (CID 124570182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).