5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine

C20H23BrN4O — CID 171037256

IUPAC5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
SMILESBrc1cc2c(-c3cnn(C4CCCCO4)c3)cn(CC3CCC3)c2cn1
InChIInChI=1S/C20H23BrN4O/c21-19-8-16-17(13-24(18(16)10-22-19)11-14-4-3-5-14)15-9-23-25(12-15)20-6-1-2-7-26-20/h8-10,12-14,20H,1-7,11H2
InChIKeyWBZAKQCHKVXHEQ-UHFFFAOYSA-N
MW415.34 g/mol
LogP5.16
Rot. Bonds4

About 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine

5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine (PubChem CID 171037256) has the molecular formula C20H23BrN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
PubChem CID171037256
Molecular FormulaC20H23BrN4O
Molecular Weight415.34 g/mol
Exact Mass414.11
IUPAC Name5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
SMILESBrc1cc2c(-c3cnn(C4CCCCO4)c3)cn(CC3CCC3)c2cn1
InChIInChI=1S/C20H23BrN4O/c21-19-8-16-17(13-24(18(16)10-22-19)11-14-4-3-5-14)15-9-23-25(12-15)20-6-1-2-7-26-20/h8-10,12-14,20H,1-7,11H2
InChIKeyWBZAKQCHKVXHEQ-UHFFFAOYSA-N
XLogP5.16
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.34
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-1-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine
CID 171037251
5-bromo-3-[1-(cyclohexylmethyl)pyrazol-4-yl]-1-methylpyrrolo[2,3-c]pyridine
CID 171037227
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
5-bromo-3-iodo-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 171037213
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674361
1-[[(3S,5S)-5-methylpyrrolidin-3-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]benzimidazole
CID 118674379
5-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)pyrrolo[3,2-b]pyridine
CID 118676597
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 118678071
4-bromo-1-(oxolan-2-yl)pyrazole
CID 130806899
[4-[1-(oxan-2-yl)pyrazol-4-yl]thiophen-3-yl]methanol
CID 166243854
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine (CID 171037256) is 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine is Brc1cc2c(-c3cnn(C4CCCCO4)c3)cn(CC3CCC3)c2cn1.
What is the InChIKey of 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine?
The InChIKey is WBZAKQCHKVXHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O/c21-19-8-16-17(13-24(18(16)10-22-19)11-14-4-3-5-14)15-9-23-25(12-15)20-6-1-2-7-26-20/h8-10,12-14,20H,1-7,11H2.
What are the key properties of 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine?
5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine has a molecular weight of 415.34 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclobutylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 171037256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).