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

C26H26Cl2N6O — CID 137437143

IUPAC6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(Nc2ncc3c(C)c(-c4cc(Cl)ccc4Cl)c(=O)[nH]c3n2)ccc1N1CCN(C)CC1
InChIInChI=1S/C26H26Cl2N6O/c1-15-12-18(5-7-22(15)34-10-8-33(3)9-11-34)30-26-29-14-20-16(2)23(25(35)31-24(20)32-26)19-13-17(27)4-6-21(19)28/h4-7,12-14H,8-11H2,1-3H3,(H2,29,30,31,32,35)
InChIKeyRYDJEDNNODWXBE-UHFFFAOYSA-N
MW509.44 g/mol
LogP5.40
Rot. Bonds4

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

6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 137437143) has the molecular formula C26H26Cl2N6O and a molecular weight of 509.44 g/mol. Its IUPAC name is 6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID137437143
Molecular FormulaC26H26Cl2N6O
Molecular Weight509.44 g/mol
Exact Mass508.15
IUPAC Name6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(Nc2ncc3c(C)c(-c4cc(Cl)ccc4Cl)c(=O)[nH]c3n2)ccc1N1CCN(C)CC1
InChIInChI=1S/C26H26Cl2N6O/c1-15-12-18(5-7-22(15)34-10-8-33(3)9-11-34)30-26-29-14-20-16(2)23(25(35)31-24(20)32-26)19-13-17(27)4-6-21(19)28/h4-7,12-14H,8-11H2,1-3H3,(H2,29,30,31,32,35)
InChIKeyRYDJEDNNODWXBE-UHFFFAOYSA-N
XLogP5.40
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.44
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-chlorophenyl)-5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 137437129
2-[4-(4-acetylpiperazin-1-yl)-3-methylanilino]-6-(2,6-dichlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 46213940
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
6-(2-chlorophenyl)-5-methyl-2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 137436811
8-cyclohexyl-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 137436801
6-(2-chlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 137436898
3-(2-chlorophenyl)-1-ethyl-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 46239512
6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one
CID 118189169
6-(2-amino-5-chlorophenyl)-2-[3-(ethylamino)-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 91557424
6-(3-chloro-4-pyridinyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 137437405
8-cyclohexyl-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 137436787
6-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one
CID 46893374

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1cc(Nc2ncc3c(C)c(-c4cc(Cl)ccc4Cl)c(=O)[nH]c3n2)ccc1N1CCN(C)CC1.
What is the InChIKey of 6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RYDJEDNNODWXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O/c1-15-12-18(5-7-22(15)34-10-8-33(3)9-11-34)30-26-29-14-20-16(2)23(25(35)31-24(20)32-26)19-13-17(27)4-6-21(19)28/h4-7,12-14H,8-11H2,1-3H3,(H2,29,30,31,32,35).
What are the key properties of 6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one?
6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 509.44 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 137437143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).