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

C28H23BrN6O — CID 11261214

IUPAC5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccccc3)c(-c3cccc(Br)c3)c12
InChIInChI=1S/C28H23BrN6O/c29-21-8-4-7-19(15-21)23-24(18-5-2-1-3-6-18)26(34-28-25(23)27(30)32-17-33-28)20-9-10-22(31-16-20)35-11-13-36-14-12-35/h1-10,15-17H,11-14H2,(H2,30,32,33,34)
InChIKeyKGSUFXHWCXAXIT-UHFFFAOYSA-N
MW539.44 g/mol
LogP5.60
Rot. Bonds4

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

5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11261214) has the molecular formula C28H23BrN6O and a molecular weight of 539.44 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11261214
Molecular FormulaC28H23BrN6O
Molecular Weight539.44 g/mol
Exact Mass538.11
IUPAC Name5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccccc3)c(-c3cccc(Br)c3)c12
InChIInChI=1S/C28H23BrN6O/c29-21-8-4-7-19(15-21)23-24(18-5-2-1-3-6-18)26(34-28-25(23)27(30)32-17-33-28)20-9-10-22(31-16-20)35-11-13-36-14-12-35/h1-10,15-17H,11-14H2,(H2,30,32,33,34)
InChIKeyKGSUFXHWCXAXIT-UHFFFAOYSA-N
XLogP5.60
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine (CID 11261214) is 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccccc3)c(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is KGSUFXHWCXAXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrN6O/c29-21-8-4-7-19(15-21)23-24(18-5-2-1-3-6-18)26(34-28-25(23)27(30)32-17-33-28)20-9-10-22(31-16-20)35-11-13-36-14-12-35/h1-10,15-17H,11-14H2,(H2,30,32,33,34).
What are the key properties of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 539.44 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11261214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).