1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H19N5O2 — CID 136969927

IUPAC1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O2/c1-24-14-9-5-4-8-13(14)19-17-20-15-12(16(23)21-17)10-18-22(15)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H2,19,20,21,23)
InChIKeyPVNCXEYCJHYKOJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.99
Rot. Bonds4

About 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969927) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969927
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccccc1Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O2/c1-24-14-9-5-4-8-13(14)19-17-20-15-12(16(23)21-17)10-18-22(15)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H2,19,20,21,23)
InChIKeyPVNCXEYCJHYKOJ-UHFFFAOYSA-N
XLogP2.99
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969927) is 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccccc1Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PVNCXEYCJHYKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-14-9-5-4-8-13(14)19-17-20-15-12(16(23)21-17)10-18-22(15)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-(2-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).