4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one

C12H15N5O — CID 58955315

IUPAC4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one
SMILESCc1nn(C2CCC(=O)CC2)c2ncnc(N)c12
InChIInChI=1S/C12H15N5O/c1-7-10-11(13)14-6-15-12(10)17(16-7)8-2-4-9(18)5-3-8/h6,8H,2-5H2,1H3,(H2,13,14,15)
InChIKeyWSXJCQGPRKRFNF-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.40
Rot. Bonds1

About 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one

4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one (PubChem CID 58955315) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one
PubChem CID58955315
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one
SMILESCc1nn(C2CCC(=O)CC2)c2ncnc(N)c12
InChIInChI=1S/C12H15N5O/c1-7-10-11(13)14-6-15-12(10)17(16-7)8-2-4-9(18)5-3-8/h6,8H,2-5H2,1H3,(H2,13,14,15)
InChIKeyWSXJCQGPRKRFNF-UHFFFAOYSA-N
XLogP1.40
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one (CID 58955315) is 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one is Cc1nn(C2CCC(=O)CC2)c2ncnc(N)c12.
What is the InChIKey of 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one?
The InChIKey is WSXJCQGPRKRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-10-11(13)14-6-15-12(10)17(16-7)8-2-4-9(18)5-3-8/h6,8H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one?
4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one has a molecular weight of 245.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 58955315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).