1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C13H13N5O — CID 135626434

IUPAC1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1nc(C)c2nc(-c3ccncc3)[nH]c(=O)c21
InChIInChI=1S/C13H13N5O/c1-3-18-11-10(8(2)17-18)15-12(16-13(11)19)9-4-6-14-7-5-9/h4-7H,3H2,1-2H3,(H,15,16,19)
InChIKeyRVODHCVGXAJDGJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.51
Rot. Bonds2

About 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626434) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626434
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1nc(C)c2nc(-c3ccncc3)[nH]c(=O)c21
InChIInChI=1S/C13H13N5O/c1-3-18-11-10(8(2)17-18)15-12(16-13(11)19)9-4-6-14-7-5-9/h4-7H,3H2,1-2H3,(H,15,16,19)
InChIKeyRVODHCVGXAJDGJ-UHFFFAOYSA-N
XLogP1.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626434) is 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCn1nc(C)c2nc(-c3ccncc3)[nH]c(=O)c21.
What is the InChIKey of 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is RVODHCVGXAJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-3-18-11-10(8(2)17-18)15-12(16-13(11)19)9-4-6-14-7-5-9/h4-7H,3H2,1-2H3,(H,15,16,19).
What are the key properties of 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 255.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-pyridin-4-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).