1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C24H29N7O3S — CID 16901918

IUPAC1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)c2n1
InChIInChI=1S/C24H29N7O3S/c1-16-3-5-18(6-4-16)30-15-17(13-20(30)32)23(33)25-7-8-31-22-19(14-26-31)21(27-24(28-22)35-2)29-9-11-34-12-10-29/h3-6,14,17H,7-13,15H2,1-2H3,(H,25,33)
InChIKeyVICLGBYNFFGVCR-UHFFFAOYSA-N
MW495.61 g/mol
LogP1.86
Rot. Bonds7

About 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 16901918) has the molecular formula C24H29N7O3S and a molecular weight of 495.61 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID16901918
Molecular FormulaC24H29N7O3S
Molecular Weight495.61 g/mol
Exact Mass495.21
IUPAC Name1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)c2n1
InChIInChI=1S/C24H29N7O3S/c1-16-3-5-18(6-4-16)30-15-17(13-20(30)32)23(33)25-7-8-31-22-19(14-26-31)21(27-24(28-22)35-2)29-9-11-34-12-10-29/h3-6,14,17H,7-13,15H2,1-2H3,(H,25,33)
InChIKeyVICLGBYNFFGVCR-UHFFFAOYSA-N
XLogP1.86
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide 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

N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16903106
1-(4-fluorophenyl)-N-[2-(4-morpholin-4-yl-6-propan-2-ylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 16905448
1-(4-fluorophenyl)-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 16901630
1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 16904136
1-(4-methylphenyl)-5-oxo-N-[2-[4-(propan-2-ylamino)-6-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 16904575
N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16901797
4-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16901676
1-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 16901339
N-[2-[4-(2-ethoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16901486
2-cyclopentyl-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16901809
N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide
CID 16839774
N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]adamantane-1-carboxamide
CID 16901812

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 16901918) is 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(C)cc4)C3)c2n1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VICLGBYNFFGVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S/c1-16-3-5-18(6-4-16)30-15-17(13-20(30)32)23(33)25-7-8-31-22-19(14-26-31)21(27-24(28-22)35-2)29-9-11-34-12-10-29/h3-6,14,17H,7-13,15H2,1-2H3,(H,25,33).
What are the key properties of 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16901918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).