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

C29H25BrN6O — CID 11284297

IUPAC6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12
InChIInChI=1S/C29H25BrN6O/c30-22-8-4-7-20(16-22)25-23(15-19-5-2-1-3-6-19)27(35-29-26(25)28(31)33-18-34-29)21-9-10-24(32-17-21)36-11-13-37-14-12-36/h1-10,16-18H,11-15H2,(H2,31,33,34,35)
InChIKeyWGAXWNJGYOYHAU-UHFFFAOYSA-N
MW553.46 g/mol
LogP5.53
Rot. Bonds5

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

6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11284297) has the molecular formula C29H25BrN6O and a molecular weight of 553.46 g/mol. Its IUPAC name is 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11284297
Molecular FormulaC29H25BrN6O
Molecular Weight553.46 g/mol
Exact Mass552.13
IUPAC Name6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12
InChIInChI=1S/C29H25BrN6O/c30-22-8-4-7-20(16-22)25-23(15-19-5-2-1-3-6-19)27(35-29-26(25)28(31)33-18-34-29)21-9-10-24(32-17-21)36-11-13-37-14-12-36/h1-10,16-18H,11-15H2,(H2,31,33,34,35)
InChIKeyWGAXWNJGYOYHAU-UHFFFAOYSA-N
XLogP5.53
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 11284297) is 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)c(Cc3ccccc3)c(-c3cccc(Br)c3)c12.
What is the InChIKey of 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is WGAXWNJGYOYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BrN6O/c30-22-8-4-7-20(16-22)25-23(15-19-5-2-1-3-6-19)27(35-29-26(25)28(31)33-18-34-29)21-9-10-24(32-17-21)36-11-13-37-14-12-36/h1-10,16-18H,11-15H2,(H2,31,33,34,35).
What are the key properties of 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 553.46 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11284297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).