1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea

C20H17BrN6O — CID 24894181

IUPAC1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3cnc4c(Br)cnn4c3N)cc2)cc1
InChIInChI=1S/C20H17BrN6O/c1-12-2-6-14(7-3-12)25-20(28)26-15-8-4-13(5-9-15)16-10-23-19-17(21)11-24-27(19)18(16)22/h2-11H,22H2,1H3,(H2,25,26,28)
InChIKeyFUIMCYKVVKITGU-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.69
Rot. Bonds3

About 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea

1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea (PubChem CID 24894181) has the molecular formula C20H17BrN6O and a molecular weight of 437.30 g/mol. Its IUPAC name is 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea
PubChem CID24894181
Molecular FormulaC20H17BrN6O
Molecular Weight437.30 g/mol
Exact Mass436.06
IUPAC Name1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3cnc4c(Br)cnn4c3N)cc2)cc1
InChIInChI=1S/C20H17BrN6O/c1-12-2-6-14(7-3-12)25-20(28)26-15-8-4-13(5-9-15)16-10-23-19-17(21)11-24-27(19)18(16)22/h2-11H,22H2,1H3,(H2,25,26,28)
InChIKeyFUIMCYKVVKITGU-UHFFFAOYSA-N
XLogP4.69
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea 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 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea (CID 24894181) is 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(-c3cnc4c(Br)cnn4c3N)cc2)cc1.
What is the InChIKey of 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea?
The InChIKey is FUIMCYKVVKITGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN6O/c1-12-2-6-14(7-3-12)25-20(28)26-15-8-4-13(5-9-15)16-10-23-19-17(21)11-24-27(19)18(16)22/h2-11H,22H2,1H3,(H2,25,26,28).
What are the key properties of 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea?
1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea has a molecular weight of 437.30 g/mol, XLogP of 4.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 24894181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).