[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone

C17H24N6O3 — CID 56895088

IUPAC[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOCc1nc(N2CCN(C(=O)C3CCCO3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6O3/c1-21-15-12(10-18-21)16(20-14(19-15)11-25-2)22-5-7-23(8-6-22)17(24)13-4-3-9-26-13/h10,13H,3-9,11H2,1-2H3
InChIKeyZFSDBONVQIRGNC-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.34
Rot. Bonds4

About [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 56895088) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID56895088
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOCc1nc(N2CCN(C(=O)C3CCCO3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6O3/c1-21-15-12(10-18-21)16(20-14(19-15)11-25-2)22-5-7-23(8-6-22)17(24)13-4-3-9-26-13/h10,13H,3-9,11H2,1-2H3
InChIKeyZFSDBONVQIRGNC-UHFFFAOYSA-N
XLogP0.34
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 56895088) is [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone is COCc1nc(N2CCN(C(=O)C3CCCO3)CC2)c2cnn(C)c2n1.
What is the InChIKey of [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ZFSDBONVQIRGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-21-15-12(10-18-21)16(20-14(19-15)11-25-2)22-5-7-23(8-6-22)17(24)13-4-3-9-26-13/h10,13H,3-9,11H2,1-2H3.
What are the key properties of [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 360.42 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 56895088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).