7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C25H14Cl3N3O — CID 135923696

IUPAC7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H14Cl3N3O/c26-16-9-5-14(6-10-16)19-13-20-24(29-22(19)18-3-1-2-4-21(18)28)30-23(31-25(20)32)15-7-11-17(27)12-8-15/h1-13H,(H,29,30,31,32)
InChIKeyADTDLLKEQWBPQJ-UHFFFAOYSA-N
MW478.77 g/mol
LogP7.28
Rot. Bonds3

About 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one

7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135923696) has the molecular formula C25H14Cl3N3O and a molecular weight of 478.77 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135923696
Molecular FormulaC25H14Cl3N3O
Molecular Weight478.77 g/mol
Exact Mass477.02
IUPAC Name7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C25H14Cl3N3O/c26-16-9-5-14(6-10-16)19-13-20-24(29-22(19)18-3-1-2-4-21(18)28)30-23(31-25(20)32)15-7-11-17(27)12-8-15/h1-13H,(H,29,30,31,32)
InChIKeyADTDLLKEQWBPQJ-UHFFFAOYSA-N
XLogP7.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.77
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135923696) is 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(Cl)cc2)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ADTDLLKEQWBPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Cl3N3O/c26-16-9-5-14(6-10-16)19-13-20-24(29-22(19)18-3-1-2-4-21(18)28)30-23(31-25(20)32)15-7-11-17(27)12-8-15/h1-13H,(H,29,30,31,32).
What are the key properties of 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 478.77 g/mol, XLogP of 7.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2,6-bis(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135923696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).