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'}

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Related Compounds

2-(4-methylphenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814775
N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 75216468
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173486980
N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176610
4-[(E)-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)hydrazinylidene]methyl]phenol
CID 136638182
1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine
CID 171463185
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 135338462
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176627
4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N-propylaniline
CID 58531158
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-amine
CID 172983490
7-morpholin-4-yl-2-phenyl-N-(3-phenylpropylideneamino)pyrazolo[1,5-a]pyrimidin-5-amine
CID 70999542

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).