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

C17H20N6O3S — CID 16839774

IUPACN-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide
SMILESCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccco3)c2n1
InChIInChI=1S/C17H20N6O3S/c1-27-17-20-14(22-6-9-25-10-7-22)12-11-19-23(15(12)21-17)5-4-18-16(24)13-3-2-8-26-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,24)
InChIKeyXSGGNCUDRDWAGQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.41
Rot. Bonds6

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

N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 16839774) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide
PubChem CID16839774
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC NameN-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide
SMILESCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccco3)c2n1
InChIInChI=1S/C17H20N6O3S/c1-27-17-20-14(22-6-9-25-10-7-22)12-11-19-23(15(12)21-17)5-4-18-16(24)13-3-2-8-26-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,24)
InChIKeyXSGGNCUDRDWAGQ-UHFFFAOYSA-N
XLogP1.41
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide (CID 16839774) is N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide is CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccco3)c2n1.
What is the InChIKey of N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is XSGGNCUDRDWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-27-17-20-14(22-6-9-25-10-7-22)12-11-19-23(15(12)21-17)5-4-18-16(24)13-3-2-8-26-13/h2-3,8,11H,4-7,9-10H2,1H3,(H,18,24).
What are the key properties of N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide?
N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 16839774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).