5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole

C15H19BrN2O2 — CID 155438466

IUPAC5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole
SMILESCC(C)Oc1cc2nn(C3CCCCO3)cc2cc1Br
InChIInChI=1S/C15H19BrN2O2/c1-10(2)20-14-8-13-11(7-12(14)16)9-18(17-13)15-5-3-4-6-19-15/h7-10,15H,3-6H2,1-2H3
InChIKeyKUZDIACIRGMOGS-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.29
Rot. Bonds3

About 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole

5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole (PubChem CID 155438466) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole.

Molecular Properties

Compound Name5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole
PubChem CID155438466
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole
SMILESCC(C)Oc1cc2nn(C3CCCCO3)cc2cc1Br
InChIInChI=1S/C15H19BrN2O2/c1-10(2)20-14-8-13-11(7-12(14)16)9-18(17-13)15-5-3-4-6-19-15/h7-10,15H,3-6H2,1-2H3
InChIKeyKUZDIACIRGMOGS-UHFFFAOYSA-N
XLogP4.29
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-2-(oxan-2-yl)pyrazolo[3,4-b]pyridin-6-yl]ethanone
CID 174334366
5-bromo-4-methyl-2-[(2S)-oxan-2-yl]indazole
CID 97052372
5-bromo-2-(4-methoxybutan-2-yl)-6-propan-2-yloxyindazole
CID 155438553
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454
4-bromo-6-chloro-5-methyl-2-(oxan-2-yl)indazole
CID 165430986
1-[5-nitro-2-(oxan-2-yl)indazol-6-yl]ethane-1,1-diol
CID 176862157
N-[3-[8-bromo-3-(trifluoromethylsulfanyl)imidazo[1,2-a]pyridin-2-yl]prop-2-ynyl]-5-methoxy-2-(oxan-2-yl)indazol-6-amine
CID 171531873
(2S)-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]oxane-2-carboxamide
CID 155449467
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
3-bromo-1-(oxan-2-yl)pyrazol-4-amine
CID 130133317
4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline
CID 66767239

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole?
The IUPAC name of 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole (CID 155438466) is 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole.
What is the SMILES notation for 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole?
The canonical SMILES for 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole is CC(C)Oc1cc2nn(C3CCCCO3)cc2cc1Br.
What is the InChIKey of 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole?
The InChIKey is KUZDIACIRGMOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10(2)20-14-8-13-11(7-12(14)16)9-18(17-13)15-5-3-4-6-19-15/h7-10,15H,3-6H2,1-2H3.
What are the key properties of 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole?
5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole has a molecular weight of 339.23 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxan-2-yl)-6-propan-2-yloxyindazole is sourced from PubChem (CID 155438466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).