N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide

C17H17BrN6O — CID 53196229

IUPACN-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1ncc2c(N3CCCC3)ncnc21)Nc1ccccc1Br
InChIInChI=1S/C17H17BrN6O/c18-13-5-1-2-6-14(13)22-15(25)10-24-17-12(9-21-24)16(19-11-20-17)23-7-3-4-8-23/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,22,25)
InChIKeyQZKKJDNZVXCAOE-UHFFFAOYSA-N
MW401.27 g/mol
LogP2.83
Rot. Bonds4

About N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide

N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide (PubChem CID 53196229) has the molecular formula C17H17BrN6O and a molecular weight of 401.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
PubChem CID53196229
Molecular FormulaC17H17BrN6O
Molecular Weight401.27 g/mol
Exact Mass400.06
IUPAC NameN-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1ncc2c(N3CCCC3)ncnc21)Nc1ccccc1Br
InChIInChI=1S/C17H17BrN6O/c18-13-5-1-2-6-14(13)22-15(25)10-24-17-12(9-21-24)16(19-11-20-17)23-7-3-4-8-23/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,22,25)
InChIKeyQZKKJDNZVXCAOE-UHFFFAOYSA-N
XLogP2.83
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide (CID 53196229) is N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide is O=C(Cn1ncc2c(N3CCCC3)ncnc21)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The InChIKey is QZKKJDNZVXCAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6O/c18-13-5-1-2-6-14(13)22-15(25)10-24-17-12(9-21-24)16(19-11-20-17)23-7-3-4-8-23/h1-2,5-6,9,11H,3-4,7-8,10H2,(H,22,25).
What are the key properties of N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide has a molecular weight of 401.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 53196229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).