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

C23H19BrFN5O — CID 67257580

IUPAC5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(C4CNCCO4)c(F)c3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C23H19BrFN5O/c24-15-3-1-2-13(8-15)17-10-19(30-23-21(17)22(26)28-12-29-23)14-4-5-16(18(25)9-14)20-11-27-6-7-31-20/h1-5,8-10,12,20,27H,6-7,11H2,(H2,26,28,29,30)
InChIKeyAXBKUQNAAMMAKD-UHFFFAOYSA-N
MW480.34 g/mol
LogP4.50
Rot. Bonds3

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

5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 67257580) has the molecular formula C23H19BrFN5O and a molecular weight of 480.34 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID67257580
Molecular FormulaC23H19BrFN5O
Molecular Weight480.34 g/mol
Exact Mass479.08
IUPAC Name5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(C4CNCCO4)c(F)c3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C23H19BrFN5O/c24-15-3-1-2-13(8-15)17-10-19(30-23-21(17)22(26)28-12-29-23)14-4-5-16(18(25)9-14)20-11-27-6-7-31-20/h1-5,8-10,12,20,27H,6-7,11H2,(H2,26,28,29,30)
InChIKeyAXBKUQNAAMMAKD-UHFFFAOYSA-N
XLogP4.50
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.34
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 67257580) is 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(C4CNCCO4)c(F)c3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is AXBKUQNAAMMAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN5O/c24-15-3-1-2-13(8-15)17-10-19(30-23-21(17)22(26)28-12-29-23)14-4-5-16(18(25)9-14)20-11-27-6-7-31-20/h1-5,8-10,12,20,27H,6-7,11H2,(H2,26,28,29,30).
What are the key properties of 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 480.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67257580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).