2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol

C18H23BrN2O2 — CID 171613608

IUPAC2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol
SMILESCc1cc2c(cnn2C2CCCCO2)c(Br)c1[C@@H]1C[C@@H]1CCO
InChIInChI=1S/C18H23BrN2O2/c1-11-8-15-14(10-20-21(15)16-4-2-3-7-23-16)18(19)17(11)13-9-12(13)5-6-22/h8,10,12-13,16,22H,2-7,9H2,1H3/t12-,13+,16?/m0/s1
InChIKeyULXUBHWOAFMJRO-FTLRAWMYSA-N
MW379.30 g/mol
LogP4.29
Rot. Bonds4

About 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol

2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol (PubChem CID 171613608) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol
PubChem CID171613608
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol
SMILESCc1cc2c(cnn2C2CCCCO2)c(Br)c1[C@@H]1C[C@@H]1CCO
InChIInChI=1S/C18H23BrN2O2/c1-11-8-15-14(10-20-21(15)16-4-2-3-7-23-16)18(19)17(11)13-9-12(13)5-6-22/h8,10,12-13,16,22H,2-7,9H2,1H3/t12-,13+,16?/m0/s1
InChIKeyULXUBHWOAFMJRO-FTLRAWMYSA-N
XLogP4.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol with MolForge

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Related Compounds

4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
2-[(1R,2R)-2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethyl methanesulfonate
CID 171613708
2-[(1S,2S)-2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]acetaldehyde
CID 177330332
tert-butyl (3S)-3-[2-[[2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]methoxy]ethyl]piperidine-1-carboxylate
CID 177285111
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]acetaldehyde;1,4-dioxane
CID 171613555
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
CID 177150139
4-bromo-5-methyl-1-(oxan-2-yl)-6-(trifluoromethyl)indazole
CID 178018729
2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]ethoxy-tert-butyl-dimethylsilane
CID 171613353
(5S)-4-bromo-5-ethynyl-1-(oxan-2-yl)-5,6,7,8-tetrahydrobenzo[f]indazole
CID 171567825
4-bromo-6,6-difluoro-5-methyl-1-(oxan-2-yl)-5,7-dihydrocyclopenta[f]indazole
CID 171567923
2-[4-bromo-6-fluoro-1-(oxan-2-yl)indazol-5-yl]butan-1-ol;ethanol
CID 171613697

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol?
The IUPAC name of 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol (CID 171613608) is 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol?
The canonical SMILES for 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol is Cc1cc2c(cnn2C2CCCCO2)c(Br)c1[C@@H]1C[C@@H]1CCO.
What is the InChIKey of 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol?
The InChIKey is ULXUBHWOAFMJRO-FTLRAWMYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-11-8-15-14(10-20-21(15)16-4-2-3-7-23-16)18(19)17(11)13-9-12(13)5-6-22/h8,10,12-13,16,22H,2-7,9H2,1H3/t12-,13+,16?/m0/s1.
What are the key properties of 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol?
2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol has a molecular weight of 379.30 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-[4-bromo-6-methyl-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]ethanol is sourced from PubChem (CID 171613608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).