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

C23H19BrFN5O — CID 67257582

IUPAC5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)c(F)c3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C23H19BrFN5O/c24-16-3-1-2-14(10-16)17-12-19(29-23-21(17)22(26)27-13-28-23)15-4-5-20(18(25)11-15)30-6-8-31-9-7-30/h1-5,10-13H,6-9H2,(H2,26,27,28,29)
InChIKeyUWXHVDABXMEIIM-UHFFFAOYSA-N
MW480.34 g/mol
LogP4.68
Rot. Bonds3

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

5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 67257582) 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-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID67257582
Molecular FormulaC23H19BrFN5O
Molecular Weight480.34 g/mol
Exact Mass479.08
IUPAC Name5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)c(F)c3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C23H19BrFN5O/c24-16-3-1-2-14(10-16)17-12-19(29-23-21(17)22(26)27-13-28-23)15-4-5-20(18(25)11-15)30-6-8-31-9-7-30/h1-5,10-13H,6-9H2,(H2,26,27,28,29)
InChIKeyUWXHVDABXMEIIM-UHFFFAOYSA-N
XLogP4.68
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-bromophenyl)-7-(5-morpholin-4-ylpyrazin-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 57317757
5-(3-bromophenyl)-7-(5-morpholin-4-ylthiophen-2-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 57257439
5-(3-bromophenyl)-7-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 54389329
5-(3-bromophenyl)-7-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 54384444
5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67258367
N-[5-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-N-methylformamide
CID 57297049
7-(6-morpholin-4-yl-3-pyridinyl)-5-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-4-amine
CID 11014315
5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 57320679
6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 70295183
6-[4-amino-5-(3-bromophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-(1-amino-2-methylpropan-2-yl)-1,3-benzoxazol-2-one
CID 70287283
5-(3-bromophenyl)-7-[4-(5-methyl-1H-imidazol-2-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine;trihydrochloride
CID 67258820
5-(3-bromophenyl)-7-(2,5-dichlorothiophen-3-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 54047986

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 67257582) is 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCOCC4)c(F)c3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is UWXHVDABXMEIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN5O/c24-16-3-1-2-14(10-16)17-12-19(29-23-21(17)22(26)27-13-28-23)15-4-5-20(18(25)11-15)30-6-8-31-9-7-30/h1-5,10-13H,6-9H2,(H2,26,27,28,29).
What are the key properties of 5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 480.34 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 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-4-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67257582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).