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

C26H26Cl2N6O — CID 5327915

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(Cc2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1
InChIInChI=1S/C26H26Cl2N6O/c1-32-10-12-34(13-11-32)16-17-6-8-19(9-7-17)30-26-29-15-18-14-20(25(35)33(2)24(18)31-26)23-21(27)4-3-5-22(23)28/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,30,31)
InChIKeyAJNZDFUREDKURT-UHFFFAOYSA-N
MW509.44 g/mol
LogP4.79
Rot. Bonds5

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

6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327915) has the molecular formula C26H26Cl2N6O and a molecular weight of 509.44 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327915
Molecular FormulaC26H26Cl2N6O
Molecular Weight509.44 g/mol
Exact Mass508.15
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(Cc2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1
InChIInChI=1S/C26H26Cl2N6O/c1-32-10-12-34(13-11-32)16-17-6-8-19(9-7-17)30-26-29-15-18-14-20(25(35)33(2)24(18)31-26)23-21(27)4-3-5-22(23)28/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,30,31)
InChIKeyAJNZDFUREDKURT-UHFFFAOYSA-N
XLogP4.79
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

PD-180970
CID 5311104
PD173955
CID 447077
2,4-Bisanilinopyrimidine, 10
CID 44139710
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 6p
CID 70702144
6-(2-chloro-4-(6-methylpyrazin-2-yl)phenyl)-8-ethyl-2-((2-(1-methylpiperidin-4-yl)ethyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 71557891
PD-166326
CID 447700
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327869
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-[(2-hydroxyethyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327873

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5327915) is 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one is CN1CCN(Cc2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AJNZDFUREDKURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O/c1-32-10-12-34(13-11-32)16-17-6-8-19(9-7-17)30-26-29-15-18-14-20(25(35)33(2)24(18)31-26)23-21(27)4-3-5-22(23)28/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,30,31).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 509.44 g/mol, XLogP of 4.79, 5 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-[(4-methylpiperazin-1-yl)methyl]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).