5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole

C23H28BrN5O — CID 156792772

IUPAC5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole
SMILESCN1CCC(n2cc(/C=C/c3nn(C4CCCCO4)c4ccc(Br)cc34)cn2)CC1
InChIInChI=1S/C23H28BrN5O/c1-27-11-9-19(10-12-27)28-16-17(15-25-28)5-7-21-20-14-18(24)6-8-22(20)29(26-21)23-4-2-3-13-30-23/h5-8,14-16,19,23H,2-4,9-13H2,1H3/b7-5+
InChIKeyNRINDMGCQBKDMR-FNORWQNLSA-N
MW470.42 g/mol
LogP5.13
Rot. Bonds4

About 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole

5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole (PubChem CID 156792772) has the molecular formula C23H28BrN5O and a molecular weight of 470.42 g/mol. Its IUPAC name is 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole
PubChem CID156792772
Molecular FormulaC23H28BrN5O
Molecular Weight470.42 g/mol
Exact Mass469.15
IUPAC Name5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole
SMILESCN1CCC(n2cc(/C=C/c3nn(C4CCCCO4)c4ccc(Br)cc34)cn2)CC1
InChIInChI=1S/C23H28BrN5O/c1-27-11-9-19(10-12-27)28-16-17(15-25-28)5-7-21-20-14-18(24)6-8-22(20)29(26-21)23-4-2-3-13-30-23/h5-8,14-16,19,23H,2-4,9-13H2,1H3/b7-5+
InChIKeyNRINDMGCQBKDMR-FNORWQNLSA-N
XLogP5.13
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole 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-(oxan-2-yl)-1H-indazole
CID 53433826
6-bromo-1-(oxan-2-yl)-1H-indazole
CID 67293240
4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 57474729
7-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 138754783
5-bromo-2-(tetrahydro-2H-pyran-2-yl)-2H-indazole
CID 44240529
1h-Indazole,5-bromo-3-(4-fluorophenyl)-1-(tetrahydro-2h-pyran-2-yl)-
CID 22479680
5-bromo-7-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 66793204
5-Bromo-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 66793297
5-Bromo-4-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 66793308
5-bromo-1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-indazole
CID 86679738
5-bromo-4,7-difluoro-2-(tetrahydro-2H-pyran-2-yl)-2H-indazole
CID 89809251
5-Bromo-3,4-difluoro-1-(oxan-2-yl)indazole
CID 89810560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole?
The IUPAC name of 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole (CID 156792772) is 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole is CN1CCC(n2cc(/C=C/c3nn(C4CCCCO4)c4ccc(Br)cc34)cn2)CC1.
What is the InChIKey of 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole?
The InChIKey is NRINDMGCQBKDMR-FNORWQNLSA-N. The full InChI is InChI=1S/C23H28BrN5O/c1-27-11-9-19(10-12-27)28-16-17(15-25-28)5-7-21-20-14-18(24)6-8-22(20)29(26-21)23-4-2-3-13-30-23/h5-8,14-16,19,23H,2-4,9-13H2,1H3/b7-5+.
What are the key properties of 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole?
5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole has a molecular weight of 470.42 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(E)-2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 156792772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).