4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

C25H23N5O3S — CID 4857686

IUPAC4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cc(C(=O)COc2ncnc3sccc23)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H23N5O3S/c1-15-12-20(21(31)13-33-23-19-10-11-34-24(19)27-14-26-23)16(2)29(15)22-17(3)28(4)30(25(22)32)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3
InChIKeyMIFNIIUMXUEWFF-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.16
Rot. Bonds6

About 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 4857686) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID4857686
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cc(C(=O)COc2ncnc3sccc23)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C25H23N5O3S/c1-15-12-20(21(31)13-33-23-19-10-11-34-24(19)27-14-26-23)16(2)29(15)22-17(3)28(4)30(25(22)32)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3
InChIKeyMIFNIIUMXUEWFF-UHFFFAOYSA-N
XLogP4.16
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2614125
[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 41466464
[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 166193168
4-[2,5-dimethyl-3-(2-piperidin-1-ium-1-ylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2683986
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2475670
4-[3-(2-benzyl-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 24505670
[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-(furan-2-ylmethyl)azanium
CID 2409184
4-[3-[2-(furan-2-ylmethylamino)acetyl]-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2409185
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(6,8-dichloroquinazolin-4-yl)oxyethanone
CID 2430345
N-(2-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2614067
5-(4-chlorophenyl)-3-[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 3888158

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 4857686) is 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is MIFNIIUMXUEWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-15-12-20(21(31)13-33-23-19-10-11-34-24(19)27-14-26-23)16(2)29(15)22-17(3)28(4)30(25(22)32)18-8-6-5-7-9-18/h5-12,14H,13H2,1-4H3.
What are the key properties of 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 473.56 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 4857686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).