5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C28H22BrFN6O — CID 11249902

IUPAC5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccc(F)cc3)c(-c3cccc(Br)c3)c12
InChIInChI=1S/C28H22BrFN6O/c29-20-3-1-2-18(14-20)23-24(17-4-7-21(30)8-5-17)26(35-28-25(23)27(31)33-16-34-28)19-6-9-22(32-15-19)36-10-12-37-13-11-36/h1-9,14-16H,10-13H2,(H2,31,33,34,35)
InChIKeyHSYOVYMEIHEOMC-UHFFFAOYSA-N
MW557.43 g/mol
LogP5.74
Rot. Bonds4

About 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11249902) has the molecular formula C28H22BrFN6O and a molecular weight of 557.43 g/mol. Its IUPAC name is 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11249902
Molecular FormulaC28H22BrFN6O
Molecular Weight557.43 g/mol
Exact Mass556.10
IUPAC Name5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccc(F)cc3)c(-c3cccc(Br)c3)c12
InChIInChI=1S/C28H22BrFN6O/c29-20-3-1-2-18(14-20)23-24(17-4-7-21(30)8-5-17)26(35-28-25(23)27(31)33-16-34-28)19-6-9-22(32-15-19)36-10-12-37-13-11-36/h1-9,14-16H,10-13H2,(H2,31,33,34,35)
InChIKeyHSYOVYMEIHEOMC-UHFFFAOYSA-N
XLogP5.74
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 11249902) is 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccc(F)cc3)c(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HSYOVYMEIHEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22BrFN6O/c29-20-3-1-2-18(14-20)23-24(17-4-7-21(30)8-5-17)26(35-28-25(23)27(31)33-16-34-28)19-6-9-22(32-15-19)36-10-12-37-13-11-36/h1-9,14-16H,10-13H2,(H2,31,33,34,35).
What are the key properties of 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 557.43 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-6-(4-fluorophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11249902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).