5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

C23H25N5O — CID 155552655

IUPAC5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCCc3ccccc3)nc(/C=C/c3ccco3)nc12
InChIInChI=1S/C23H25N5O/c1-3-8-19-21-22(28(2)27-19)23(24-15-14-17-9-5-4-6-10-17)26-20(25-21)13-12-18-11-7-16-29-18/h4-7,9-13,16H,3,8,14-15H2,1-2H3,(H,24,25,26)/b13-12+
InChIKeyLMNXIMVYUWKPLG-OUKQBFOZSA-N
MW387.49 g/mol
LogP4.73
Rot. Bonds8

About 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine

5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 155552655) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID155552655
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nn(C)c2c(NCCc3ccccc3)nc(/C=C/c3ccco3)nc12
InChIInChI=1S/C23H25N5O/c1-3-8-19-21-22(28(2)27-19)23(24-15-14-17-9-5-4-6-10-17)26-20(25-21)13-12-18-11-7-16-29-18/h4-7,9-13,16H,3,8,14-15H2,1-2H3,(H,24,25,26)/b13-12+
InChIKeyLMNXIMVYUWKPLG-OUKQBFOZSA-N
XLogP4.73
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine (CID 155552655) is 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is CCCc1nn(C)c2c(NCCc3ccccc3)nc(/C=C/c3ccco3)nc12.
What is the InChIKey of 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is LMNXIMVYUWKPLG-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H25N5O/c1-3-8-19-21-22(28(2)27-19)23(24-15-14-17-9-5-4-6-10-17)26-20(25-21)13-12-18-11-7-16-29-18/h4-7,9-13,16H,3,8,14-15H2,1-2H3,(H,24,25,26)/b13-12+.
What are the key properties of 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine?
5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 387.49 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(furan-2-yl)ethenyl]-1-methyl-N-(2-phenylethyl)-3-propylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 155552655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).