5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine

C21H18BrN7O — CID 57317757

IUPAC5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cnc(N4CCOCC4)cn3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C21H18BrN7O/c22-14-3-1-2-13(8-14)15-9-16(28-21-19(15)20(23)26-12-27-21)17-10-25-18(11-24-17)29-4-6-30-7-5-29/h1-3,8-12H,4-7H2,(H2,23,26,27,28)
InChIKeyDOSIFUBAFFNVKL-UHFFFAOYSA-N
MW464.33 g/mol
LogP3.33
Rot. Bonds3

About 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57317757) has the molecular formula C21H18BrN7O and a molecular weight of 464.33 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID57317757
Molecular FormulaC21H18BrN7O
Molecular Weight464.33 g/mol
Exact Mass463.08
IUPAC Name5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cnc(N4CCOCC4)cn3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C21H18BrN7O/c22-14-3-1-2-13(8-14)15-9-16(28-21-19(15)20(23)26-12-27-21)17-10-25-18(11-24-17)29-4-6-30-7-5-29/h1-3,8-12H,4-7H2,(H2,23,26,27,28)
InChIKeyDOSIFUBAFFNVKL-UHFFFAOYSA-N
XLogP3.33
TPSA102.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 57317757) is 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3cnc(N4CCOCC4)cn3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is DOSIFUBAFFNVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN7O/c22-14-3-1-2-13(8-14)15-9-16(28-21-19(15)20(23)26-12-27-21)17-10-25-18(11-24-17)29-4-6-30-7-5-29/h1-3,8-12H,4-7H2,(H2,23,26,27,28).
What are the key properties of 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 464.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57317757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).