1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H16N6O2 — CID 137226125

IUPAC1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CC[C@@H](Oc4ccncc4)C3)nc21
InChIInChI=1S/C15H16N6O2/c1-20-13-12(8-17-20)14(22)19-15(18-13)21-7-4-11(9-21)23-10-2-5-16-6-3-10/h2-3,5-6,8,11H,4,7,9H2,1H3,(H,18,19,22)/t11-/m1/s1
InChIKeyFOYXWCNMCYDVEX-LLVKDONJSA-N
MW312.33 g/mol
LogP0.71
Rot. Bonds3

About 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137226125) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137226125
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CC[C@@H](Oc4ccncc4)C3)nc21
InChIInChI=1S/C15H16N6O2/c1-20-13-12(8-17-20)14(22)19-15(18-13)21-7-4-11(9-21)23-10-2-5-16-6-3-10/h2-3,5-6,8,11H,4,7,9H2,1H3,(H,18,19,22)/t11-/m1/s1
InChIKeyFOYXWCNMCYDVEX-LLVKDONJSA-N
XLogP0.71
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137226125) is 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(N3CC[C@@H](Oc4ccncc4)C3)nc21.
What is the InChIKey of 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FOYXWCNMCYDVEX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-20-13-12(8-17-20)14(22)19-15(18-13)21-7-4-11(9-21)23-10-2-5-16-6-3-10/h2-3,5-6,8,11H,4,7,9H2,1H3,(H,18,19,22)/t11-/m1/s1.
What are the key properties of 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 312.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137226125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).