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

C23H19BrFN5O — CID 70288225

IUPAC5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(C4CNCCO4)cc3)cc(-c3ccc(F)c(Br)c3)c12
InChIInChI=1S/C23H19BrFN5O/c24-17-9-15(5-6-18(17)25)16-10-19(30-23-21(16)22(26)28-12-29-23)13-1-3-14(4-2-13)20-11-27-7-8-31-20/h1-6,9-10,12,20,27H,7-8,11H2,(H2,26,28,29,30)
InChIKeyKRPGKZFBYMWIQW-UHFFFAOYSA-N
MW480.34 g/mol
LogP4.50
Rot. Bonds3

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

5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 70288225) has the molecular formula C23H19BrFN5O and a molecular weight of 480.34 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID70288225
Molecular FormulaC23H19BrFN5O
Molecular Weight480.34 g/mol
Exact Mass479.08
IUPAC Name5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(C4CNCCO4)cc3)cc(-c3ccc(F)c(Br)c3)c12
InChIInChI=1S/C23H19BrFN5O/c24-17-9-15(5-6-18(17)25)16-10-19(30-23-21(16)22(26)28-12-29-23)13-1-3-14(4-2-13)20-11-27-7-8-31-20/h1-6,9-10,12,20,27H,7-8,11H2,(H2,26,28,29,30)
InChIKeyKRPGKZFBYMWIQW-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-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 70288225) is 5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(C4CNCCO4)cc3)cc(-c3ccc(F)c(Br)c3)c12.
What is the InChIKey of 5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is KRPGKZFBYMWIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN5O/c24-17-9-15(5-6-18(17)25)16-10-19(30-23-21(16)22(26)28-12-29-23)13-1-3-14(4-2-13)20-11-27-7-8-31-20/h1-6,9-10,12,20,27H,7-8,11H2,(H2,26,28,29,30).
What are the key properties of 5-(3-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromo-4-fluorophenyl)-7-(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-bromo-4-fluorophenyl)-7-(4-morpholin-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70288225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).