4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol

C14H22N6O — CID 110931563

IUPAC4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
SMILESCn1ncc2c(N3CCN(CCCCO)CC3)ncnc21
InChIInChI=1S/C14H22N6O/c1-18-13-12(10-17-18)14(16-11-15-13)20-7-5-19(6-8-20)4-2-3-9-21/h10-11,21H,2-9H2,1H3
InChIKeyDXSMVWXZSNDHQO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.26
Rot. Bonds5

About 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol

4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol (PubChem CID 110931563) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
PubChem CID110931563
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
SMILESCn1ncc2c(N3CCN(CCCCO)CC3)ncnc21
InChIInChI=1S/C14H22N6O/c1-18-13-12(10-17-18)14(16-11-15-13)20-7-5-19(6-8-20)4-2-3-9-21/h10-11,21H,2-9H2,1H3
InChIKeyDXSMVWXZSNDHQO-UHFFFAOYSA-N
XLogP0.26
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol (CID 110931563) is 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol is Cn1ncc2c(N3CCN(CCCCO)CC3)ncnc21.
What is the InChIKey of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol?
The InChIKey is DXSMVWXZSNDHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-18-13-12(10-17-18)14(16-11-15-13)20-7-5-19(6-8-20)4-2-3-9-21/h10-11,21H,2-9H2,1H3.
What are the key properties of 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol?
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol has a molecular weight of 290.37 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 110931563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).