1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide

C25H30ClN7O2S — CID 16904136

IUPAC1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCCSc1nc(N2CCCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)c2n1
InChIInChI=1S/C25H30ClN7O2S/c1-2-13-36-25-29-22(31-10-3-4-11-31)20-15-28-33(23(20)30-25)12-9-27-24(35)17-14-21(34)32(16-17)19-7-5-18(26)6-8-19/h5-8,15,17H,2-4,9-14,16H2,1H3,(H,27,35)
InChIKeyMCJQYYWHAUZZRH-UHFFFAOYSA-N
MW528.08 g/mol
LogP3.75
Rot. Bonds9

About 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 16904136) has the molecular formula C25H30ClN7O2S and a molecular weight of 528.08 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID16904136
Molecular FormulaC25H30ClN7O2S
Molecular Weight528.08 g/mol
Exact Mass527.19
IUPAC Name1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCCSc1nc(N2CCCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)c2n1
InChIInChI=1S/C25H30ClN7O2S/c1-2-13-36-25-29-22(31-10-3-4-11-31)20-15-28-33(23(20)30-25)12-9-27-24(35)17-14-21(34)32(16-17)19-7-5-18(26)6-8-19/h5-8,15,17H,2-4,9-14,16H2,1H3,(H,27,35)
InChIKeyMCJQYYWHAUZZRH-UHFFFAOYSA-N
XLogP3.75
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.08
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-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

1-(4-fluorophenyl)-N-[2-(6-methylsulfanyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 16901630
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-methylphenyl)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 16901918
4-butyl-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 16904017
N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
CID 16904005
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
N-[2-(4-piperidin-1-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16903863
2,6-difluoro-N-[2-(4-piperidin-1-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16903918
ethyl 2-oxo-2-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethylamino]acetate
CID 16904148
1-(3,4-dimethylphenyl)-N-[2-[4-(2-ethoxyethylamino)-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 16903846
3,4-difluoro-N-[2-(4-piperidin-1-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16903919
N-[2-(4-piperidin-1-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-9H-xanthene-9-carboxamide
CID 16903982

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 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) is 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide is CCCSc1nc(N2CCCC2)c2cnn(CCNC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)c2n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is MCJQYYWHAUZZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN7O2S/c1-2-13-36-25-29-22(31-10-3-4-11-31)20-15-28-33(23(20)30-25)12-9-27-24(35)17-14-21(34)32(16-17)19-7-5-18(26)6-8-19/h5-8,15,17H,2-4,9-14,16H2,1H3,(H,27,35).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 528.08 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-N-[2-(6-propylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 16904136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).