2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

C24H23BrN6O — CID 76814765

IUPAC2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)n3nc(-c4ccc(Br)cc4)cc3n2)c1
InChIInChI=1S/C24H23BrN6O/c1-17-3-2-4-18(13-17)16-26-28-22-15-24(30-9-11-32-12-10-30)31-23(27-22)14-21(29-31)19-5-7-20(25)8-6-19/h2-8,13-16H,9-12H2,1H3,(H,27,28)
InChIKeyGXLWFRKPGWBDHO-UHFFFAOYSA-N
MW491.39 g/mol
LogP4.75
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine

2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 76814765) has the molecular formula C24H23BrN6O and a molecular weight of 491.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID76814765
Molecular FormulaC24H23BrN6O
Molecular Weight491.39 g/mol
Exact Mass490.11
IUPAC Name2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCc1cccc(C=NNc2cc(N3CCOCC3)n3nc(-c4ccc(Br)cc4)cc3n2)c1
InChIInChI=1S/C24H23BrN6O/c1-17-3-2-4-18(13-17)16-26-28-22-15-24(30-9-11-32-12-10-30)31-23(27-22)14-21(29-31)19-5-7-20(25)8-6-19/h2-8,13-16H,9-12H2,1H3,(H,27,28)
InChIKeyGXLWFRKPGWBDHO-UHFFFAOYSA-N
XLogP4.75
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine 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 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 76814765) is 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is Cc1cccc(C=NNc2cc(N3CCOCC3)n3nc(-c4ccc(Br)cc4)cc3n2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is GXLWFRKPGWBDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN6O/c1-17-3-2-4-18(13-17)16-26-28-22-15-24(30-9-11-32-12-10-30)31-23(27-22)14-21(29-31)19-5-7-20(25)8-6-19/h2-8,13-16H,9-12H2,1H3,(H,27,28).
What are the key properties of 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine?
2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 491.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 76814765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).