5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole

C16H12Br2N4 — CID 152829013

IUPAC5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole
SMILESCn1cc2cc(Br)cc(-c3nn(C)c4ccc(Br)cc34)c2n1
InChIInChI=1S/C16H12Br2N4/c1-21-8-9-5-11(18)7-13(15(9)19-21)16-12-6-10(17)3-4-14(12)22(2)20-16/h3-8H,1-2H3
InChIKeySVVPSYKMJLIULJ-UHFFFAOYSA-N
MW420.11 g/mol
LogP4.65
Rot. Bonds1

About 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole

5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole (PubChem CID 152829013) has the molecular formula C16H12Br2N4 and a molecular weight of 420.11 g/mol. Its IUPAC name is 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole.

Molecular Properties

Compound Name5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole
PubChem CID152829013
Molecular FormulaC16H12Br2N4
Molecular Weight420.11 g/mol
Exact Mass417.94
IUPAC Name5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole
SMILESCn1cc2cc(Br)cc(-c3nn(C)c4ccc(Br)cc34)c2n1
InChIInChI=1S/C16H12Br2N4/c1-21-8-9-5-11(18)7-13(15(9)19-21)16-12-6-10(17)3-4-14(12)22(2)20-16/h3-8H,1-2H3
InChIKeySVVPSYKMJLIULJ-UHFFFAOYSA-N
XLogP4.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.11
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-2-methyl-2H-indazole
CID 22559031
4-(3-Bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
CID 1214667
4-(3-Bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214668
4-(3-Bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
CID 1214670
6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
CID 164629071
(5-Bromo-indol-1-yl)-methyl-pyridin-4-yl-amine
CID 10542372
(5-Bromo-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10711464
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
1-[(1-Methyltriazol-4-yl)methyl]-3-phenylindazole
CID 73504350
1-[(3-Bromo-2-pyridinyl)methyl]-3-phenylindazole
CID 73504781
2,4-Bis(3-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214669
4-Bromo-2-ethylindazole
CID 70693135

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole?
The IUPAC name of 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole (CID 152829013) is 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole.
What is the SMILES notation for 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole?
The canonical SMILES for 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole is Cn1cc2cc(Br)cc(-c3nn(C)c4ccc(Br)cc34)c2n1.
What is the InChIKey of 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole?
The InChIKey is SVVPSYKMJLIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N4/c1-21-8-9-5-11(18)7-13(15(9)19-21)16-12-6-10(17)3-4-14(12)22(2)20-16/h3-8H,1-2H3.
What are the key properties of 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole?
5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole has a molecular weight of 420.11 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-bromo-2-methylindazol-7-yl)-1-methylindazole is sourced from PubChem (CID 152829013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).