6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one

C25H24Cl2N6O — CID 118189169

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one
SMILESCc1cc(Nc2ncc3c(=O)c(-c4c(Cl)cccc4Cl)cn(C)c3n2)ccc1N1CCNCC1
InChIInChI=1S/C25H24Cl2N6O/c1-15-12-16(6-7-21(15)33-10-8-28-9-11-33)30-25-29-13-17-23(34)18(14-32(2)24(17)31-25)22-19(26)4-3-5-20(22)27/h3-7,12-14,28H,8-11H2,1-2H3,(H,29,30,31)
InChIKeyDPYHSLCYZJOLCG-UHFFFAOYSA-N
MW495.41 g/mol
LogP4.76
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one

6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one (PubChem CID 118189169) has the molecular formula C25H24Cl2N6O and a molecular weight of 495.41 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one
PubChem CID118189169
Molecular FormulaC25H24Cl2N6O
Molecular Weight495.41 g/mol
Exact Mass494.14
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one
SMILESCc1cc(Nc2ncc3c(=O)c(-c4c(Cl)cccc4Cl)cn(C)c3n2)ccc1N1CCNCC1
InChIInChI=1S/C25H24Cl2N6O/c1-15-12-16(6-7-21(15)33-10-8-28-9-11-33)30-25-29-13-17-23(34)18(14-32(2)24(17)31-25)22-19(26)4-3-5-20(22)27/h3-7,12-14,28H,8-11H2,1-2H3,(H,29,30,31)
InChIKeyDPYHSLCYZJOLCG-UHFFFAOYSA-N
XLogP4.76
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-dichlorophenyl)-8-methyl-2-[[2-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[2,3-d]pyrimidin-5-one
CID 71555711
N-(2,6-dichlorophenyl)-4-methoxy-2-(3-methyl-4-piperazin-1-ylanilino)pyrimidine-5-carboxamide
CID 171834950
6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 137437143
6-(2-chloro-6-fluorophenyl)-2-[3-(hydroxymethyl)-4-piperazin-1-ylanilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 58395708
2-[4-(4-acetylpiperazin-1-yl)-3-methylanilino]-6-(2,6-dichlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 46213940
3-(2-chlorophenyl)-1-ethyl-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 46239512
2-ethyl-1-(3-methoxyphenyl)-6-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidin-3-one
CID 59555941
3-[2-chloro-6-(fluoromethyl)phenyl]-1-ethyl-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 58458132
6-[4-(1-methylimidazol-2-yl)phenyl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90210684
3-(2,6-dichlorophenyl)-7-(3,5-dimethyl-4-piperazin-1-ylanilino)-2H-pyrimido[5,4-e][1,3]oxazin-4-one
CID 138521486
N-[4-[6-(2-chlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]acetamide
CID 137436910
5-ethynyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one
CID 171547091

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one (CID 118189169) is 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one is Cc1cc(Nc2ncc3c(=O)c(-c4c(Cl)cccc4Cl)cn(C)c3n2)ccc1N1CCNCC1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is DPYHSLCYZJOLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O/c1-15-12-16(6-7-21(15)33-10-8-28-9-11-33)30-25-29-13-17-23(34)18(14-32(2)24(17)31-25)22-19(26)4-3-5-20(22)27/h3-7,12-14,28H,8-11H2,1-2H3,(H,29,30,31).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 495.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 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-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 118189169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).