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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Related Compounds

7-methyl-3-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[5,4-d]triazin-4-one
CID 102819861
5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912676
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 79572765
5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 126857626
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912458
N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46570096
5-(cyclohexylmethyl)-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 112772732
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46684786
1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 104747686

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).