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

C23H28Cl2N6O — CID 5327879

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C23H28Cl2N6O/c1-29-10-12-31(13-11-29)9-4-3-8-26-23-27-15-16-14-17(22(32)30(2)21(16)28-23)20-18(24)6-5-7-19(20)25/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,26,27,28)
InChIKeyQCDZPARUOUZGLL-UHFFFAOYSA-N
MW475.42 g/mol
LogP3.74
Rot. Bonds7

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

6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327879) has the molecular formula C23H28Cl2N6O and a molecular weight of 475.42 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327879
Molecular FormulaC23H28Cl2N6O
Molecular Weight475.42 g/mol
Exact Mass474.17
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C23H28Cl2N6O/c1-29-10-12-31(13-11-29)9-4-3-8-26-23-27-15-16-14-17(22(32)30(2)21(16)28-23)20-18(24)6-5-7-19(20)25/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,26,27,28)
InChIKeyQCDZPARUOUZGLL-UHFFFAOYSA-N
XLogP3.74
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one (CID 5327879) is 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]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)butylamino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one is CN1CCN(CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QCDZPARUOUZGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N6O/c1-29-10-12-31(13-11-29)9-4-3-8-26-23-27-15-16-14-17(22(32)30(2)21(16)28-23)20-18(24)6-5-7-19(20)25/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,26,27,28).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 475.42 g/mol, XLogP of 3.74, 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-(4-methylpiperazin-1-yl)butylamino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).