6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole

C14H17BrFN3O — CID 150951128

IUPAC6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole
SMILESC[C@@H](Oc1cc(Br)cc2nn(C)c(F)c12)[C@@H]1CCNC1
InChIInChI=1S/C14H17BrFN3O/c1-8(9-3-4-17-7-9)20-12-6-10(15)5-11-13(12)14(16)19(2)18-11/h5-6,8-9,17H,3-4,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyLKCSQBJUWNKWKB-RKDXNWHRSA-N
MW342.21 g/mol
LogP2.85
Rot. Bonds3

About 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole

6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole (PubChem CID 150951128) has the molecular formula C14H17BrFN3O and a molecular weight of 342.21 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole
PubChem CID150951128
Molecular FormulaC14H17BrFN3O
Molecular Weight342.21 g/mol
Exact Mass341.05
IUPAC Name6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole
SMILESC[C@@H](Oc1cc(Br)cc2nn(C)c(F)c12)[C@@H]1CCNC1
InChIInChI=1S/C14H17BrFN3O/c1-8(9-3-4-17-7-9)20-12-6-10(15)5-11-13(12)14(16)19(2)18-11/h5-6,8-9,17H,3-4,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyLKCSQBJUWNKWKB-RKDXNWHRSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole?
The IUPAC name of 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole (CID 150951128) is 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole.
What is the SMILES notation for 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole?
The canonical SMILES for 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole is C[C@@H](Oc1cc(Br)cc2nn(C)c(F)c12)[C@@H]1CCNC1.
What is the InChIKey of 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole?
The InChIKey is LKCSQBJUWNKWKB-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H17BrFN3O/c1-8(9-3-4-17-7-9)20-12-6-10(15)5-11-13(12)14(16)19(2)18-11/h5-6,8-9,17H,3-4,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole?
6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole has a molecular weight of 342.21 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-methyl-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]indazole is sourced from PubChem (CID 150951128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).