1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol

C16H18BrClN2O2 — CID 171567865

IUPAC1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol
SMILESOC1(c2c(Cl)cc3c(cnn3C3CCCCO3)c2Br)CCC1
InChIInChI=1S/C16H18BrClN2O2/c17-15-10-9-19-20(13-4-1-2-7-22-13)12(10)8-11(18)14(15)16(21)5-3-6-16/h8-9,13,21H,1-7H2
InChIKeyBINRCZKRYDCURX-UHFFFAOYSA-N
MW385.69 g/mol
LogP4.52
Rot. Bonds2

About 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol

1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol (PubChem CID 171567865) has the molecular formula C16H18BrClN2O2 and a molecular weight of 385.69 g/mol. Its IUPAC name is 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol
PubChem CID171567865
Molecular FormulaC16H18BrClN2O2
Molecular Weight385.69 g/mol
Exact Mass384.02
IUPAC Name1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol
SMILESOC1(c2c(Cl)cc3c(cnn3C3CCCCO3)c2Br)CCC1
InChIInChI=1S/C16H18BrClN2O2/c17-15-10-9-19-20(13-4-1-2-7-22-13)12(10)8-11(18)14(15)16(21)5-3-6-16/h8-9,13,21H,1-7H2
InChIKeyBINRCZKRYDCURX-UHFFFAOYSA-N
XLogP4.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol?
The IUPAC name of 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol (CID 171567865) is 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol is OC1(c2c(Cl)cc3c(cnn3C3CCCCO3)c2Br)CCC1.
What is the InChIKey of 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol?
The InChIKey is BINRCZKRYDCURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2O2/c17-15-10-9-19-20(13-4-1-2-7-22-13)12(10)8-11(18)14(15)16(21)5-3-6-16/h8-9,13,21H,1-7H2.
What are the key properties of 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol?
1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol has a molecular weight of 385.69 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 171567865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).