6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine

C17H23N7O — CID 56883060

IUPAC6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(CCN(C)c2nc(C3CCCC3)nc3c2cnn3C)no1
InChIInChI=1S/C17H23N7O/c1-11-19-14(22-25-11)8-9-23(2)16-13-10-18-24(3)17(13)21-15(20-16)12-6-4-5-7-12/h10,12H,4-9H2,1-3H3
InChIKeyZQFBYHNJYVCBLA-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.39
Rot. Bonds5

About 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine

6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56883060) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56883060
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(CCN(C)c2nc(C3CCCC3)nc3c2cnn3C)no1
InChIInChI=1S/C17H23N7O/c1-11-19-14(22-25-11)8-9-23(2)16-13-10-18-24(3)17(13)21-15(20-16)12-6-4-5-7-12/h10,12H,4-9H2,1-3H3
InChIKeyZQFBYHNJYVCBLA-UHFFFAOYSA-N
XLogP2.39
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 56883060) is 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine is Cc1nc(CCN(C)c2nc(C3CCCC3)nc3c2cnn3C)no1.
What is the InChIKey of 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZQFBYHNJYVCBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-11-19-14(22-25-11)8-9-23(2)16-13-10-18-24(3)17(13)21-15(20-16)12-6-4-5-7-12/h10,12H,4-9H2,1-3H3.
What are the key properties of 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine?
6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56883060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).