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

C24H30BrN5O — CID 156792613

IUPAC5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole
SMILESCCN1CCC(n2cc(/C=C/c3nn(C4CCCCO4)c4ccc(Br)cc34)cn2)CC1
InChIInChI=1S/C24H30BrN5O/c1-2-28-12-10-20(11-13-28)29-17-18(16-26-29)6-8-22-21-15-19(25)7-9-23(21)30(27-22)24-5-3-4-14-31-24/h6-9,15-17,20,24H,2-5,10-14H2,1H3/b8-6+
InChIKeyYXIQXKMSJYJJNW-SOFGYWHQSA-N
MW484.44 g/mol
LogP5.52
Rot. Bonds5

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

5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole (PubChem CID 156792613) has the molecular formula C24H30BrN5O and a molecular weight of 484.44 g/mol. Its IUPAC name is 5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole
PubChem CID156792613
Molecular FormulaC24H30BrN5O
Molecular Weight484.44 g/mol
Exact Mass483.16
IUPAC Name5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole
SMILESCCN1CCC(n2cc(/C=C/c3nn(C4CCCCO4)c4ccc(Br)cc34)cn2)CC1
InChIInChI=1S/C24H30BrN5O/c1-2-28-12-10-20(11-13-28)29-17-18(16-26-29)6-8-22-21-15-19(25)7-9-23(21)30(27-22)24-5-3-4-14-31-24/h6-9,15-17,20,24H,2-5,10-14H2,1H3/b8-6+
InChIKeyYXIQXKMSJYJJNW-SOFGYWHQSA-N
XLogP5.52
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole?
The IUPAC name of 5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole (CID 156792613) is 5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole is CCN1CCC(n2cc(/C=C/c3nn(C4CCCCO4)c4ccc(Br)cc34)cn2)CC1.
What is the InChIKey of 5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole?
The InChIKey is YXIQXKMSJYJJNW-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H30BrN5O/c1-2-28-12-10-20(11-13-28)29-17-18(16-26-29)6-8-22-21-15-19(25)7-9-23(21)30(27-22)24-5-3-4-14-31-24/h6-9,15-17,20,24H,2-5,10-14H2,1H3/b8-6+.
What are the key properties of 5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole?
5-bromo-3-[(E)-2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole has a molecular weight of 484.44 g/mol, XLogP of 5.52, 5 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-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 156792613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).