3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine

C43H45Br2N13O — CID 157275730

About 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine

3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 157275730) has the molecular formula C43H45Br2N13O and a molecular weight of 919.73 g/mol. Its IUPAC name is 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 157275730
• Molecular Formula: C43H45Br2N13O
• Molecular Weight: 919.73 g/mol
• Exact Mass: 917.22
• IUPAC Name: 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCNc1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.COCCNc1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1
• InChI: InChI=1S/C22H24BrN7.C21H21BrN6O/c1-29(2)11-10-24-20-9-8-16(13-25-20)14-26-21-12-19(17-6-4-3-5-7-17)28-22-18(23)15-27-30(21)22;1-29-10-9-23-19-8-7-15(12-24-19)13-25-20-11-18(16-5-3-2-4-6-16)27-21-17(22)14-26-28(20)21/h3-9,12-13,15,26H,10-11,14H2,1-2H3,(H,24,25);2-8,11-12,14,25H,9-10,13H2,1H3,(H,23,24)
• InChIKey: AZBPBLCVVPIMIW-UHFFFAOYSA-N
• XLogP: 8.36
• TPSA: 146.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.73
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (CID 157275730) is 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.COCCNc1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.

What is the InChIKey of 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is AZBPBLCVVPIMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN7.C21H21BrN6O/c1-29(2)11-10-24-20-9-8-16(13-25-20)14-26-21-12-19(17-6-4-3-5-7-17)28-22-18(23)15-27-30(21)22;1-29-10-9-23-19-8-7-15(12-24-19)13-25-20-11-18(16-5-3-2-4-6-16)27-21-17(22)14-26-28(20)21/h3-9,12-13,15,26H,10-11,14H2,1-2H3,(H,24,25);2-8,11-12,14,25H,9-10,13H2,1H3,(H,23,24).

What are the key properties of 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?

3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 919.73 g/mol, XLogP of 8.36, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 157275730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).