4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline

C25H24BrN5O — CID 54500947

IUPAC4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3cnc(N4CCOCC4)nc3n2)cc1
InChIInChI=1S/C25H24BrN5O/c1-30(2)20-8-6-17(7-9-20)23-15-21(18-4-3-5-19(26)14-18)22-16-27-25(29-24(22)28-23)31-10-12-32-13-11-31/h3-9,14-16H,10-13H2,1-2H3
InChIKeyYCJJRKVBCHWVRV-UHFFFAOYSA-N
MW490.41 g/mol
LogP5.02
Rot. Bonds4

About 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline

4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline (PubChem CID 54500947) has the molecular formula C25H24BrN5O and a molecular weight of 490.41 g/mol. Its IUPAC name is 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline
PubChem CID54500947
Molecular FormulaC25H24BrN5O
Molecular Weight490.41 g/mol
Exact Mass489.12
IUPAC Name4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3cnc(N4CCOCC4)nc3n2)cc1
InChIInChI=1S/C25H24BrN5O/c1-30(2)20-8-6-17(7-9-20)23-15-21(18-4-3-5-19(26)14-18)22-16-27-25(29-24(22)28-23)31-10-12-32-13-11-31/h3-9,14-16H,10-13H2,1-2H3
InChIKeyYCJJRKVBCHWVRV-UHFFFAOYSA-N
XLogP5.02
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline (CID 54500947) is 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3cnc(N4CCOCC4)nc3n2)cc1.
What is the InChIKey of 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline?
The InChIKey is YCJJRKVBCHWVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN5O/c1-30(2)20-8-6-17(7-9-20)23-15-21(18-4-3-5-19(26)14-18)22-16-27-25(29-24(22)28-23)31-10-12-32-13-11-31/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline?
4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline has a molecular weight of 490.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline is sourced from PubChem (CID 54500947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).