1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C17H19N7OS — CID 70725779

IUPAC1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2nc(Cc3cccs3)no2)c2cnn(C)c2n1
InChIInChI=1S/C17H19N7OS/c1-3-5-13-21-16(12-9-19-24(2)17(12)22-13)18-10-15-20-14(23-25-15)8-11-6-4-7-26-11/h4,6-7,9H,3,5,8,10H2,1-2H3,(H,18,21,22)
InChIKeyQXDJLRPCJPEFKK-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.96
Rot. Bonds7

About 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70725779) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70725779
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2nc(Cc3cccs3)no2)c2cnn(C)c2n1
InChIInChI=1S/C17H19N7OS/c1-3-5-13-21-16(12-9-19-24(2)17(12)22-13)18-10-15-20-14(23-25-15)8-11-6-4-7-26-11/h4,6-7,9H,3,5,8,10H2,1-2H3,(H,18,21,22)
InChIKeyQXDJLRPCJPEFKK-UHFFFAOYSA-N
XLogP2.96
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 70725779) is 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NCc2nc(Cc3cccs3)no2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QXDJLRPCJPEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-3-5-13-21-16(12-9-19-24(2)17(12)22-13)18-10-15-20-14(23-25-15)8-11-6-4-7-26-11/h4,6-7,9H,3,5,8,10H2,1-2H3,(H,18,21,22).
What are the key properties of 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 369.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propyl-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70725779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).