1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H23BrN6 — CID 169273456

IUPAC1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(CCCN1CCCCC1)nn2-c1cccc(Br)c1
InChIInChI=1S/C19H23BrN6/c20-14-6-4-7-15(12-14)26-19-17(18(21)22-13-23-19)16(24-26)8-5-11-25-9-2-1-3-10-25/h4,6-7,12-13H,1-3,5,8-11H2,(H2,21,22,23)
InChIKeyNXFOEEWEINUKRD-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.58
Rot. Bonds5

About 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 169273456) has the molecular formula C19H23BrN6 and a molecular weight of 415.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID169273456
Molecular FormulaC19H23BrN6
Molecular Weight415.34 g/mol
Exact Mass414.12
IUPAC Name1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(CCCN1CCCCC1)nn2-c1cccc(Br)c1
InChIInChI=1S/C19H23BrN6/c20-14-6-4-7-15(12-14)26-19-17(18(21)22-13-23-19)16(24-26)8-5-11-25-9-2-1-3-10-25/h4,6-7,12-13H,1-3,5,8-11H2,(H2,21,22,23)
InChIKeyNXFOEEWEINUKRD-UHFFFAOYSA-N
XLogP3.58
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-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

3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
3-(3-piperidin-1-ylpropyl)pyridin-2-amine
CID 159183152
1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71226198
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
3-bromo-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 59590019
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 141177025
1-(3-bromophenyl)-3-butyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3894003
1-(3-bromophenyl)pyrrolidine
CID 7016459
3-(3-bromophenoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 130434589
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 169273456) is 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(CCCN1CCCCC1)nn2-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NXFOEEWEINUKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN6/c20-14-6-4-7-15(12-14)26-19-17(18(21)22-13-23-19)16(24-26)8-5-11-25-9-2-1-3-10-25/h4,6-7,12-13H,1-3,5,8-11H2,(H2,21,22,23).
What are the key properties of 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 415.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3-piperidin-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 169273456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).