3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol

C15H13BrN4O — CID 167986175

IUPAC3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CC(Nc2ccn3ncc(Br)c3n2)c2ccccc21
InChIInChI=1S/C15H13BrN4O/c16-11-8-17-20-6-5-14(19-15(11)20)18-12-7-13(21)10-4-2-1-3-9(10)12/h1-6,8,12-13,21H,7H2,(H,18,19)
InChIKeyJTHXEDSBPMAIQE-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.08
Rot. Bonds2

About 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol

3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol (PubChem CID 167986175) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol
PubChem CID167986175
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CC(Nc2ccn3ncc(Br)c3n2)c2ccccc21
InChIInChI=1S/C15H13BrN4O/c16-11-8-17-20-6-5-14(19-15(11)20)18-12-7-13(21)10-4-2-1-3-9(10)12/h1-6,8,12-13,21H,7H2,(H,18,19)
InChIKeyJTHXEDSBPMAIQE-UHFFFAOYSA-N
XLogP3.08
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol (CID 167986175) is 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol is OC1CC(Nc2ccn3ncc(Br)c3n2)c2ccccc21.
What is the InChIKey of 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is JTHXEDSBPMAIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-11-8-17-20-6-5-14(19-15(11)20)18-12-7-13(21)10-4-2-1-3-9(10)12/h1-6,8,12-13,21H,7H2,(H,18,19).
What are the key properties of 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol?
3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 345.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 167986175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).