6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one

C27H27Cl2N5O2 — CID 5327913

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCCN4CCCCC4)cc3)nc21
InChIInChI=1S/C27H27Cl2N5O2/c1-33-25-18(16-21(26(33)35)24-22(28)6-5-7-23(24)29)17-30-27(32-25)31-19-8-10-20(11-9-19)36-15-14-34-12-3-2-4-13-34/h5-11,16-17H,2-4,12-15H2,1H3,(H,30,31,32)
InChIKeyWQDGYGJFEUAXKW-UHFFFAOYSA-N
MW524.45 g/mol
LogP5.91
Rot. Bonds7

About 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327913) has the molecular formula C27H27Cl2N5O2 and a molecular weight of 524.45 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327913
Molecular FormulaC27H27Cl2N5O2
Molecular Weight524.45 g/mol
Exact Mass523.15
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCCN4CCCCC4)cc3)nc21
InChIInChI=1S/C27H27Cl2N5O2/c1-33-25-18(16-21(26(33)35)24-22(28)6-5-7-23(24)29)17-30-27(32-25)31-19-8-10-20(11-9-19)36-15-14-34-12-3-2-4-13-34/h5-11,16-17H,2-4,12-15H2,1H3,(H,30,31,32)
InChIKeyWQDGYGJFEUAXKW-UHFFFAOYSA-N
XLogP5.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.45
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5327913) is 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCCN4CCCCC4)cc3)nc21.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WQDGYGJFEUAXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N5O2/c1-33-25-18(16-21(26(33)35)24-22(28)6-5-7-23(24)29)17-30-27(32-25)31-19-8-10-20(11-9-19)36-15-14-34-12-3-2-4-13-34/h5-11,16-17H,2-4,12-15H2,1H3,(H,30,31,32).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 524.45 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(2-piperidin-1-ylethoxy)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).