5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one

C24H22ClFN6O3S — CID 118959685

IUPAC5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one
SMILESCC(C)(C)C(=O)n1nc(-c2cc(F)c(=O)n(CC(=O)c3ncccn3)c2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C24H22ClFN6O3S/c1-24(2,3)23(35)32-20(29-11-15-5-6-19(25)36-15)10-17(30-32)14-9-16(26)22(34)31(12-14)13-18(33)21-27-7-4-8-28-21/h4-10,12,29H,11,13H2,1-3H3
InChIKeyPHIKWRWHFQBTTF-UHFFFAOYSA-N
MW529.00 g/mol
LogP4.54
Rot. Bonds7

About 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one (PubChem CID 118959685) has the molecular formula C24H22ClFN6O3S and a molecular weight of 529.00 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one
PubChem CID118959685
Molecular FormulaC24H22ClFN6O3S
Molecular Weight529.00 g/mol
Exact Mass528.11
IUPAC Name5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one
SMILESCC(C)(C)C(=O)n1nc(-c2cc(F)c(=O)n(CC(=O)c3ncccn3)c2)cc1NCc1ccc(Cl)s1
InChIInChI=1S/C24H22ClFN6O3S/c1-24(2,3)23(35)32-20(29-11-15-5-6-19(25)36-15)10-17(30-32)14-9-16(26)22(34)31(12-14)13-18(33)21-27-7-4-8-28-21/h4-10,12,29H,11,13H2,1-3H3
InChIKeyPHIKWRWHFQBTTF-UHFFFAOYSA-N
XLogP4.54
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.00
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one?
The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one (CID 118959685) is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one?
The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one is CC(C)(C)C(=O)n1nc(-c2cc(F)c(=O)n(CC(=O)c3ncccn3)c2)cc1NCc1ccc(Cl)s1.
What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one?
The InChIKey is PHIKWRWHFQBTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O3S/c1-24(2,3)23(35)32-20(29-11-15-5-6-19(25)36-15)10-17(30-32)14-9-16(26)22(34)31(12-14)13-18(33)21-27-7-4-8-28-21/h4-10,12,29H,11,13H2,1-3H3.
What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one?
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one has a molecular weight of 529.00 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-3-fluoro-1-(2-oxo-2-pyrimidin-2-ylethyl)pyridin-2-one is sourced from PubChem (CID 118959685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).