4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one

C11H11BrN4O — CID 168506236

IUPAC4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1cnc2[nH]ncc2c1
InChIInChI=1S/C11H11BrN4O/c12-3-7-1-10(17)16(6-7)9-2-8-4-14-15-11(8)13-5-9/h2,4-5,7H,1,3,6H2,(H,13,14,15)
InChIKeyVWWJJROJXAEJPF-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.71
Rot. Bonds2

About 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one (PubChem CID 168506236) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one
PubChem CID168506236
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1c1cnc2[nH]ncc2c1
InChIInChI=1S/C11H11BrN4O/c12-3-7-1-10(17)16(6-7)9-2-8-4-14-15-11(8)13-5-9/h2,4-5,7H,1,3,6H2,(H,13,14,15)
InChIKeyVWWJJROJXAEJPF-UHFFFAOYSA-N
XLogP1.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
[1-(1H-indazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682542
1-(2H-benzotriazol-5-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505547
(5-oxo-1-quinolin-3-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168677584
1-(3-aminopyrazin-2-yl)-4-(bromomethyl)pyrrolidin-2-one
CID 168506379
4-(bromomethyl)-1-(5-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 168504725
4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-2-carbonitrile
CID 168505992
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
4-(bromomethyl)-1-(3,4,5-trifluorophenyl)pyrrolidin-2-one
CID 168505640
4-(bromomethyl)-1-(3,5-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168504473
1-(2-amino-5-bromo-3-pyridinyl)-4-(bromomethyl)pyrrolidin-2-one
CID 168505981

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one (CID 168506236) is 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one is O=C1CC(CBr)CN1c1cnc2[nH]ncc2c1.
What is the InChIKey of 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one?
The InChIKey is VWWJJROJXAEJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-3-7-1-10(17)16(6-7)9-2-8-4-14-15-11(8)13-5-9/h2,4-5,7H,1,3,6H2,(H,13,14,15).
What are the key properties of 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one has a molecular weight of 295.14 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168506236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).