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

C17H19N5O2 — CID 136969925

IUPAC1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C17H19N5O2/c1-24-13-8-6-11(7-9-13)19-17-20-15-14(16(23)21-17)10-18-22(15)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H2,19,20,21,23)
InChIKeyULQUJDPFTDTZIH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.99
Rot. Bonds4

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

1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136969925) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136969925
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C17H19N5O2/c1-24-13-8-6-11(7-9-13)19-17-20-15-14(16(23)21-17)10-18-22(15)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H2,19,20,21,23)
InChIKeyULQUJDPFTDTZIH-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-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136969925) is 1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1.
What is the InChIKey of 1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ULQUJDPFTDTZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-13-8-6-11(7-9-13)19-17-20-15-14(16(23)21-17)10-18-22(15)12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-cyclopentyl-6-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-(4-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-(4-methoxyanilino)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136969925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).