[6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol

C21H18BrN3O3 — CID 118664080

IUPAC[6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol
SMILESCOc1ccc(COc2cc(Br)c3cnn(-c4cccc(CO)n4)c3c2)cc1
InChIInChI=1S/C21H18BrN3O3/c1-27-16-7-5-14(6-8-16)13-28-17-9-19(22)18-11-23-25(20(18)10-17)21-4-2-3-15(12-26)24-21/h2-11,26H,12-13H2,1H3
InChIKeyJMZHJVMIXVQDCK-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.26
Rot. Bonds6

About [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol

[6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol (PubChem CID 118664080) has the molecular formula C21H18BrN3O3 and a molecular weight of 440.30 g/mol. Its IUPAC name is [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol
PubChem CID118664080
Molecular FormulaC21H18BrN3O3
Molecular Weight440.30 g/mol
Exact Mass439.05
IUPAC Name[6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol
SMILESCOc1ccc(COc2cc(Br)c3cnn(-c4cccc(CO)n4)c3c2)cc1
InChIInChI=1S/C21H18BrN3O3/c1-27-16-7-5-14(6-8-16)13-28-17-9-19(22)18-11-23-25(20(18)10-17)21-4-2-3-15(12-26)24-21/h2-11,26H,12-13H2,1H3
InChIKeyJMZHJVMIXVQDCK-UHFFFAOYSA-N
XLogP4.26
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol (CID 118664080) is [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol is COc1ccc(COc2cc(Br)c3cnn(-c4cccc(CO)n4)c3c2)cc1.
What is the InChIKey of [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is JMZHJVMIXVQDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3/c1-27-16-7-5-14(6-8-16)13-28-17-9-19(22)18-11-23-25(20(18)10-17)21-4-2-3-15(12-26)24-21/h2-11,26H,12-13H2,1H3.
What are the key properties of [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol?
[6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 440.30 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-bromo-6-[(4-methoxyphenyl)methoxy]indazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 118664080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).