5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole

C18H18BrN3O2 — CID 166551429

IUPAC5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole
SMILESCOc1cc(-c2nn(C3CCCCO3)c3ccc(Br)cc23)ccn1
InChIInChI=1S/C18H18BrN3O2/c1-23-16-10-12(7-8-20-16)18-14-11-13(19)5-6-15(14)22(21-18)17-4-2-3-9-24-17/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyJNLFXVDKWKCDFU-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.57
Rot. Bonds3

About 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole

5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole (PubChem CID 166551429) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole
PubChem CID166551429
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole
SMILESCOc1cc(-c2nn(C3CCCCO3)c3ccc(Br)cc23)ccn1
InChIInChI=1S/C18H18BrN3O2/c1-23-16-10-12(7-8-20-16)18-14-11-13(19)5-6-15(14)22(21-18)17-4-2-3-9-24-17/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyJNLFXVDKWKCDFU-UHFFFAOYSA-N
XLogP4.57
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[(2R)-oxan-2-yl]-3-(trifluoromethyl)indazole
CID 129411061
3-bromo-4-methoxy-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228857
5-bromo-3-(cyclopropylmethyl)-1-(oxan-2-yl)indazole
CID 166722465
5-bromo-1-(oxan-2-yl)-3-[(E)-2-phenylethenyl]indazole
CID 156792609
2-[5-bromo-1-(oxan-2-yl)indazol-3-yl]indole-1-carboxylic acid
CID 155316580
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
5-bromo-3-fluoro-1-(oxan-2-yl)indazole;cis-(1R,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine;3-fluoro-5-iodo-1-(oxan-2-yl)indazole
CID 160781012
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
3-iodo-4-methoxy-1-(oxan-2-yl)indazol-5-ol
CID 169101637
6-bromo-1-(oxan-2-yl)indazole-3-carbaldehyde
CID 86676267
3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050
5-bromo-3-[4-(3-methyl-2-pyridinyl)phenyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 170545992

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole?
The IUPAC name of 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole (CID 166551429) is 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole is COc1cc(-c2nn(C3CCCCO3)c3ccc(Br)cc23)ccn1.
What is the InChIKey of 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole?
The InChIKey is JNLFXVDKWKCDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-23-16-10-12(7-8-20-16)18-14-11-13(19)5-6-15(14)22(21-18)17-4-2-3-9-24-17/h5-8,10-11,17H,2-4,9H2,1H3.
What are the key properties of 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole?
5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole has a molecular weight of 388.27 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxy-4-pyridinyl)-1-(oxan-2-yl)indazole is sourced from PubChem (CID 166551429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).