6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one

C24H30Cl2N6O — CID 5327880

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(CCCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C24H30Cl2N6O/c1-30-11-13-32(14-12-30)10-5-3-4-9-27-24-28-16-17-15-18(23(33)31(2)22(17)29-24)21-19(25)7-6-8-20(21)26/h6-8,15-16H,3-5,9-14H2,1-2H3,(H,27,28,29)
InChIKeyNMLMUNQQEDDASM-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.13
Rot. Bonds8

About 6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327880) has the molecular formula C24H30Cl2N6O and a molecular weight of 489.45 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327880
Molecular FormulaC24H30Cl2N6O
Molecular Weight489.45 g/mol
Exact Mass488.19
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(CCCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C24H30Cl2N6O/c1-30-11-13-32(14-12-30)10-5-3-4-9-27-24-28-16-17-15-18(23(33)31(2)22(17)29-24)21-19(25)7-6-8-20(21)26/h6-8,15-16H,3-5,9-14H2,1-2H3,(H,27,28,29)
InChIKeyNMLMUNQQEDDASM-UHFFFAOYSA-N
XLogP4.13
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.13
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-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one (CID 5327880) is 6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one is CN1CCN(CCCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NMLMUNQQEDDASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6O/c1-30-11-13-32(14-12-30)10-5-3-4-9-27-24-28-16-17-15-18(23(33)31(2)22(17)29-24)21-19(25)7-6-8-20(21)26/h6-8,15-16H,3-5,9-14H2,1-2H3,(H,27,28,29).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 489.45 g/mol, XLogP of 4.13, 8 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-[5-(4-methylpiperazin-1-yl)pentylamino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).