1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione

C11H10BrN5O2 — CID 178164160

IUPAC1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(Br)nc21
InChIInChI=1S/C11H10BrN5O2/c1-16-9-6(2-3-7(12)13-9)10(15-16)17-5-4-8(18)14-11(17)19/h2-3H,4-5H2,1H3,(H,14,18,19)
InChIKeyCDCNLGWSMNVEPK-UHFFFAOYSA-N
MW324.14 g/mol
LogP1.18
Rot. Bonds1

About 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione

1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 178164160) has the molecular formula C11H10BrN5O2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
PubChem CID178164160
Molecular FormulaC11H10BrN5O2
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(Br)nc21
InChIInChI=1S/C11H10BrN5O2/c1-16-9-6(2-3-7(12)13-9)10(15-16)17-5-4-8(18)14-11(17)19/h2-3H,4-5H2,1H3,(H,14,18,19)
InChIKeyCDCNLGWSMNVEPK-UHFFFAOYSA-N
XLogP1.18
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione (CID 178164160) is 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2ccc(Br)nc21.
What is the InChIKey of 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is CDCNLGWSMNVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2/c1-16-9-6(2-3-7(12)13-9)10(15-16)17-5-4-8(18)14-11(17)19/h2-3H,4-5H2,1H3,(H,14,18,19).
What are the key properties of 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione?
1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 324.14 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178164160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).