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

C12H11N5O — CID 135626426

IUPAC1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)[nH]c(-c3cccnc3)nc12
InChIInChI=1S/C12H11N5O/c1-7-9-10(17(2)16-7)12(18)15-11(14-9)8-4-3-5-13-6-8/h3-6H,1-2H3,(H,14,15,18)
InChIKeyNPKHJRPCNAHIGK-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.03
Rot. Bonds1

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

1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626426) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626426
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)[nH]c(-c3cccnc3)nc12
InChIInChI=1S/C12H11N5O/c1-7-9-10(17(2)16-7)12(18)15-11(14-9)8-4-3-5-13-6-8/h3-6H,1-2H3,(H,14,15,18)
InChIKeyNPKHJRPCNAHIGK-UHFFFAOYSA-N
XLogP1.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
6-Cyclopropyl-3-(pyridin-3-ylamino)-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548332
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
2-phenyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135911551
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 831914
8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567109
6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 162639718
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
US9586948, Example 12
CID 117871750
US9586948, Example 1
CID 117871929

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626426) is 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cc1nn(C)c2c(=O)[nH]c(-c3cccnc3)nc12.
What is the InChIKey of 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is NPKHJRPCNAHIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-9-10(17(2)16-7)12(18)15-11(14-9)8-4-3-5-13-6-8/h3-6H,1-2H3,(H,14,15,18).
What are the key properties of 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 241.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-pyridin-3-yl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).