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

C22H17Cl2N3O — CID 135923581

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C22H17Cl2N3O/c1-12(2)20-26-21-17(22(28)27-20)11-16(13-7-9-14(23)10-8-13)19(25-21)15-5-3-4-6-18(15)24/h3-12H,1-2H3,(H,25,26,27,28)
InChIKeyKPEQDIMLMKNWLV-UHFFFAOYSA-N
MW410.30 g/mol
LogP6.08
Rot. Bonds3

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

7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135923581) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135923581
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C22H17Cl2N3O/c1-12(2)20-26-21-17(22(28)27-20)11-16(13-7-9-14(23)10-8-13)19(25-21)15-5-3-4-6-18(15)24/h3-12H,1-2H3,(H,25,26,27,28)
InChIKeyKPEQDIMLMKNWLV-UHFFFAOYSA-N
XLogP6.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135923581) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is CC(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KPEQDIMLMKNWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c1-12(2)20-26-21-17(22(28)27-20)11-16(13-7-9-14(23)10-8-13)19(25-21)15-5-3-4-6-18(15)24/h3-12H,1-2H3,(H,25,26,27,28).
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 410.30 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-propan-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135923581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).