5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole

C26H21Br3N6 — CID 159591558

IUPAC5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole
SMILESBrc1ccc2[nH]ncc2c1.Cc1ccncc1-n1ncc2cc(Br)ccc21.Cc1ccncc1Br
InChIInChI=1S/C13H10BrN3.C7H5BrN2.C6H6BrN/c1-9-4-5-15-8-13(9)17-12-3-2-11(14)6-10(12)7-16-17;8-6-1-2-7-5(3-6)4-9-10-7;1-5-2-3-8-4-6(5)7/h2-8H,1H3;1-4H,(H,9,10);2-4H,1H3
InChIKeyMKHQSGCVYSFKFN-UHFFFAOYSA-N
MW657.21 g/mol
LogP7.97
Rot. Bonds1

About 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole

5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole (PubChem CID 159591558) has the molecular formula C26H21Br3N6 and a molecular weight of 657.21 g/mol. Its IUPAC name is 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole.

Molecular Properties

Compound Name5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole
PubChem CID159591558
Molecular FormulaC26H21Br3N6
Molecular Weight657.21 g/mol
Exact Mass653.94
IUPAC Name5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole
SMILESBrc1ccc2[nH]ncc2c1.Cc1ccncc1-n1ncc2cc(Br)ccc21.Cc1ccncc1Br
InChIInChI=1S/C13H10BrN3.C7H5BrN2.C6H6BrN/c1-9-4-5-15-8-13(9)17-12-3-2-11(14)6-10(12)7-16-17;8-6-1-2-7-5(3-6)4-9-10-7;1-5-2-3-8-4-6(5)7/h2-8H,1H3;1-4H,(H,9,10);2-4H,1H3
InChIKeyMKHQSGCVYSFKFN-UHFFFAOYSA-N
XLogP7.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.21
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992708
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
(3R)-1-[3-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-3-amine
CID 71254066
Plakortamine C
CID 10393386
4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
CID 10150095
3-phenyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253684
5-(1-methylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253921
N-[(3-bromo-5-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734088
5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
CID 137116186
4-(3-Bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214668
5-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14146974
16-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14783706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole?
The IUPAC name of 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole (CID 159591558) is 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole.
What is the SMILES notation for 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole?
The canonical SMILES for 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole is Brc1ccc2[nH]ncc2c1.Cc1ccncc1-n1ncc2cc(Br)ccc21.Cc1ccncc1Br.
What is the InChIKey of 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole?
The InChIKey is MKHQSGCVYSFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3.C7H5BrN2.C6H6BrN/c1-9-4-5-15-8-13(9)17-12-3-2-11(14)6-10(12)7-16-17;8-6-1-2-7-5(3-6)4-9-10-7;1-5-2-3-8-4-6(5)7/h2-8H,1H3;1-4H,(H,9,10);2-4H,1H3.
What are the key properties of 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole?
5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole has a molecular weight of 657.21 g/mol, XLogP of 7.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole;3-bromo-4-methylpyridine;5-bromo-1-(4-methyl-3-pyridinyl)indazole is sourced from PubChem (CID 159591558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).