(6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol

C20H11Br2F2N5O — CID 118663626

IUPAC(6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
SMILESOC(c1cccc(-n2ncc3c(F)cc(Br)cc32)n1)n1ncc2c(F)cc(Br)cc21
InChIInChI=1S/C20H11Br2F2N5O/c21-10-4-14(23)12-8-25-28(17(12)6-10)19-3-1-2-16(27-19)20(30)29-18-7-11(22)5-15(24)13(18)9-26-29/h1-9,20,30H
InChIKeyZGXSSXKLWIBDEZ-UHFFFAOYSA-N
MW535.15 g/mol
LogP5.11
Rot. Bonds3

About (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol

(6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol (PubChem CID 118663626) has the molecular formula C20H11Br2F2N5O and a molecular weight of 535.15 g/mol. Its IUPAC name is (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name(6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
PubChem CID118663626
Molecular FormulaC20H11Br2F2N5O
Molecular Weight535.15 g/mol
Exact Mass532.93
IUPAC Name(6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol
SMILESOC(c1cccc(-n2ncc3c(F)cc(Br)cc32)n1)n1ncc2c(F)cc(Br)cc21
InChIInChI=1S/C20H11Br2F2N5O/c21-10-4-14(23)12-8-25-28(17(12)6-10)19-3-1-2-16(27-19)20(30)29-18-7-11(22)5-15(24)13(18)9-26-29/h1-9,20,30H
InChIKeyZGXSSXKLWIBDEZ-UHFFFAOYSA-N
XLogP5.11
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.15
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol (CID 118663626) is (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol is OC(c1cccc(-n2ncc3c(F)cc(Br)cc32)n1)n1ncc2c(F)cc(Br)cc21.
What is the InChIKey of (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is ZGXSSXKLWIBDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Br2F2N5O/c21-10-4-14(23)12-8-25-28(17(12)6-10)19-3-1-2-16(27-19)20(30)29-18-7-11(22)5-15(24)13(18)9-26-29/h1-9,20,30H.
What are the key properties of (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol?
(6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 535.15 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-fluoroindazol-1-yl)-[6-(6-bromo-4-fluoroindazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 118663626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).