6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H20N8O — CID 137077547

IUPAC6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NCC3CN(c4ccc(C5CC5)nn4)C3)nc21
InChIInChI=1S/C17H20N8O/c1-24-15-12(7-19-24)16(26)21-17(20-15)18-6-10-8-25(9-10)14-5-4-13(22-23-14)11-2-3-11/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H2,18,20,21,26)
InChIKeyAHCJAMQVESFODW-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.87
Rot. Bonds5

About 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137077547) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137077547
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NCC3CN(c4ccc(C5CC5)nn4)C3)nc21
InChIInChI=1S/C17H20N8O/c1-24-15-12(7-19-24)16(26)21-17(20-15)18-6-10-8-25(9-10)14-5-4-13(22-23-14)11-2-3-11/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H2,18,20,21,26)
InChIKeyAHCJAMQVESFODW-UHFFFAOYSA-N
XLogP0.87
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137077547) is 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(NCC3CN(c4ccc(C5CC5)nn4)C3)nc21.
What is the InChIKey of 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AHCJAMQVESFODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-24-15-12(7-19-24)16(26)21-17(20-15)18-6-10-8-25(9-10)14-5-4-13(22-23-14)11-2-3-11/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H2,18,20,21,26).
What are the key properties of 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 352.40 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137077547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).