1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

C12H17N5O — CID 63276978

IUPAC1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC3CCCCN3)cnc21
InChIInChI=1S/C12H17N5O/c1-16-11-10(6-15-16)12(18)17(8-14-11)7-9-4-2-3-5-13-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyMJXLQVHNLZELKQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.27
Rot. Bonds2

About 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63276978) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63276978
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC3CCCCN3)cnc21
InChIInChI=1S/C12H17N5O/c1-16-11-10(6-15-16)12(18)17(8-14-11)7-9-4-2-3-5-13-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyMJXLQVHNLZELKQ-UHFFFAOYSA-N
XLogP0.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 63276978) is 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CC3CCCCN3)cnc21.
What is the InChIKey of 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MJXLQVHNLZELKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-16-11-10(6-15-16)12(18)17(8-14-11)7-9-4-2-3-5-13-9/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 247.30 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63276978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).