N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H22N4O3S — CID 55338159

IUPACN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)CC2=O)cc1
InChIInChI=1S/C25H22N4O3S/c1-15-8-10-19(11-9-15)28-13-18(12-20(28)30)23(31)27-29-14-26-24-22(25(29)32)21(16(2)33-24)17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,27,31)
InChIKeyIZDGAWTZHLPKHL-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.87
Rot. Bonds4

About N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55338159) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55338159
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)CC2=O)cc1
InChIInChI=1S/C25H22N4O3S/c1-15-8-10-19(11-9-15)28-13-18(12-20(28)30)23(31)27-29-14-26-24-22(25(29)32)21(16(2)33-24)17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,27,31)
InChIKeyIZDGAWTZHLPKHL-UHFFFAOYSA-N
XLogP3.87
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41427203
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 55370221
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-2-(4-phenylphenoxy)propanamide
CID 56501012
(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 41427200
1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108747938
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
1-(4-methylphenyl)-5-oxo-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)pyrrolidine-3-carboxamide
CID 108727895
(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55338389
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55338159) is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nn3cnc4sc(C)c(-c5ccccc5)c4c3=O)CC2=O)cc1.
What is the InChIKey of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IZDGAWTZHLPKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-15-8-10-19(11-9-15)28-13-18(12-20(28)30)23(31)27-29-14-26-24-22(25(29)32)21(16(2)33-24)17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,27,31).
What are the key properties of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55338159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).