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

C22H26Cl2N6O — CID 5327878

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C22H26Cl2N6O/c1-28-9-11-30(12-10-28)8-4-7-25-22-26-14-15-13-16(21(31)29(2)20(15)27-22)19-17(23)5-3-6-18(19)24/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,25,26,27)
InChIKeyNZUXTCRYWPXTJA-UHFFFAOYSA-N
MW461.40 g/mol
LogP3.35
Rot. Bonds6

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

6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327878) has the molecular formula C22H26Cl2N6O and a molecular weight of 461.40 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327878
Molecular FormulaC22H26Cl2N6O
Molecular Weight461.40 g/mol
Exact Mass460.15
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C22H26Cl2N6O/c1-28-9-11-30(12-10-28)8-4-7-25-22-26-14-15-13-16(21(31)29(2)20(15)27-22)19-17(23)5-3-6-18(19)24/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,25,26,27)
InChIKeyNZUXTCRYWPXTJA-UHFFFAOYSA-N
XLogP3.35
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 53.35
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-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one (CID 5327878) is 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one is CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NZUXTCRYWPXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N6O/c1-28-9-11-30(12-10-28)8-4-7-25-22-26-14-15-13-16(21(31)29(2)20(15)27-22)19-17(23)5-3-6-18(19)24/h3,5-6,13-14H,4,7-12H2,1-2H3,(H,25,26,27).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 461.40 g/mol, XLogP of 3.35, 6 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-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).