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

C24H28FN7O3S — CID 16903106

IUPACN-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)c2n1
InChIInChI=1S/C24H28FN7O3S/c1-2-36-24-28-21(30-9-11-35-12-10-30)19-14-27-32(22(19)29-24)8-7-26-23(34)16-13-20(33)31(15-16)18-5-3-17(25)4-6-18/h3-6,14,16H,2,7-13,15H2,1H3,(H,26,34)
InChIKeyCJQPWNIQWDVNNU-UHFFFAOYSA-N
MW513.60 g/mol
LogP2.08
Rot. Bonds8

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

N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 16903106) has the molecular formula C24H28FN7O3S and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID16903106
Molecular FormulaC24H28FN7O3S
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC NameN-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)c2n1
InChIInChI=1S/C24H28FN7O3S/c1-2-36-24-28-21(30-9-11-35-12-10-30)19-14-27-32(22(19)29-24)8-7-26-23(34)16-13-20(33)31(15-16)18-5-3-17(25)4-6-18/h3-6,14,16H,2,7-13,15H2,1H3,(H,26,34)
InChIKeyCJQPWNIQWDVNNU-UHFFFAOYSA-N
XLogP2.08
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

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-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 16901918
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
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 16904162
N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-4-fluorobenzamide
CID 16902879
N-[2-[4-(2-ethoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 16901486
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-3,3-dimethylbutanamide
CID 16902985
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-3,4-dimethoxybenzamide
CID 16903020
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 16903086
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]thiophene-2-carboxamide
CID 16903098
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16903068

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 16903106) is N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(F)cc4)C3)c2n1.
What is the InChIKey of N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CJQPWNIQWDVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O3S/c1-2-36-24-28-21(30-9-11-35-12-10-30)19-14-27-32(22(19)29-24)8-7-26-23(34)16-13-20(33)31(15-16)18-5-3-17(25)4-6-18/h3-6,14,16H,2,7-13,15H2,1H3,(H,26,34).
What are the key properties of N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16903106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).