3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine

C19H15BrN4O — CID 102425379

IUPAC3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
SMILESCOc1ccc(Nc2ccc3c(-c4ccc(Br)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C19H15BrN4O/c1-25-15-8-6-14(7-9-15)21-17-11-10-16-18(23-24-19(16)22-17)12-2-4-13(20)5-3-12/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyQFRCEYXOUFVQGX-UHFFFAOYSA-N
MW395.26 g/mol
LogP5.14
Rot. Bonds4

About 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine

3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine (PubChem CID 102425379) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
PubChem CID102425379
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine
SMILESCOc1ccc(Nc2ccc3c(-c4ccc(Br)cc4)[nH]nc3n2)cc1
InChIInChI=1S/C19H15BrN4O/c1-25-15-8-6-14(7-9-15)21-17-11-10-16-18(23-24-19(16)22-17)12-2-4-13(20)5-3-12/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyQFRCEYXOUFVQGX-UHFFFAOYSA-N
XLogP5.14
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.26
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine 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

5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
4-fluoro-5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 53307036
3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
CID 135962688
3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 19082673
3-(4-methoxyanilino)-1H-pyridazin-6-one
CID 54765726
6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 70642714
N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 20587771
4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589
5-bromo-N-(6-methoxynaphthalen-2-yl)pyridin-2-amine
CID 115146533
2-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylaniline
CID 90667363
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
CID 108777599
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 164627590

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The IUPAC name of 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine (CID 102425379) is 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine is COc1ccc(Nc2ccc3c(-c4ccc(Br)cc4)[nH]nc3n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
The InChIKey is QFRCEYXOUFVQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-25-15-8-6-14(7-9-15)21-17-11-10-16-18(23-24-19(16)22-17)12-2-4-13(20)5-3-12/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine?
3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine has a molecular weight of 395.26 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 102425379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).