5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine

C14H9BrN4 — CID 164611578

IUPAC5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2n[nH]c(-c3ccc4cc[nH]c4c3)c2c1
InChIInChI=1S/C14H9BrN4/c15-10-6-11-13(18-19-14(11)17-7-10)9-2-1-8-3-4-16-12(8)5-9/h1-7,16H,(H,17,18,19)
InChIKeyBNMPTWJDGYSZGD-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.87
Rot. Bonds1

About 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine

5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 164611578) has the molecular formula C14H9BrN4 and a molecular weight of 313.16 g/mol. Its IUPAC name is 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID164611578
Molecular FormulaC14H9BrN4
Molecular Weight313.16 g/mol
Exact Mass312.00
IUPAC Name5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2n[nH]c(-c3ccc4cc[nH]c4c3)c2c1
InChIInChI=1S/C14H9BrN4/c15-10-6-11-13(18-19-14(11)17-7-10)9-2-1-8-3-4-16-12(8)5-9/h1-7,16H,(H,17,18,19)
InChIKeyBNMPTWJDGYSZGD-UHFFFAOYSA-N
XLogP3.87
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine 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

N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
CID 5328241
N-(3-bromophenyl)-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328242
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24798741
5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 23586143
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173
(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-A]pyrimidin-7-amine
CID 5327131
N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24971375
5-methyl-N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24971377
6-(2-Aminopyrimidin-4-Yl)-1h-Indazol-3-Amine
CID 46215814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine (CID 164611578) is 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine is Brc1cnc2n[nH]c(-c3ccc4cc[nH]c4c3)c2c1.
What is the InChIKey of 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BNMPTWJDGYSZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4/c15-10-6-11-13(18-19-14(11)17-7-10)9-2-1-8-3-4-16-12(8)5-9/h1-7,16H,(H,17,18,19).
What are the key properties of 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine?
5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 313.16 g/mol, XLogP of 3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 164611578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).