5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine

C15H14BrN5O — CID 70998304

IUPAC5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOCC1=CC=CC2NC(c3[nH]nc4ncc(Br)cc34)=NC12
InChIInChI=1S/C15H14BrN5O/c1-22-7-8-3-2-4-11-12(8)19-15(18-11)13-10-5-9(16)6-17-14(10)21-20-13/h2-6,11-12H,7H2,1H3,(H,18,19)(H,17,20,21)
InChIKeyMWRXCJSZIYEYBG-UHFFFAOYSA-N
MW360.22 g/mol
LogP1.95
Rot. Bonds3

About 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine

5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 70998304) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID70998304
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOCC1=CC=CC2NC(c3[nH]nc4ncc(Br)cc34)=NC12
InChIInChI=1S/C15H14BrN5O/c1-22-7-8-3-2-4-11-12(8)19-15(18-11)13-10-5-9(16)6-17-14(10)21-20-13/h2-6,11-12H,7H2,1H3,(H,18,19)(H,17,20,21)
InChIKeyMWRXCJSZIYEYBG-UHFFFAOYSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine 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 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 70998304) is 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is COCC1=CC=CC2NC(c3[nH]nc4ncc(Br)cc34)=NC12.
What is the InChIKey of 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MWRXCJSZIYEYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-22-7-8-3-2-4-11-12(8)19-15(18-11)13-10-5-9(16)6-17-14(10)21-20-13/h2-6,11-12H,7H2,1H3,(H,18,19)(H,17,20,21).
What are the key properties of 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?
5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 360.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(methoxymethyl)-3a,7a-dihydro-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 70998304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).