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

C28H28Cl2N6O — CID 71555711

IUPAC6-(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
SMILESCN1CCN(C2Cc3ccc(Nc4ncc5c(=O)c(-c6c(Cl)cccc6Cl)cn(C)c5n4)cc3C2)CC1
InChIInChI=1S/C28H28Cl2N6O/c1-34-8-10-36(11-9-34)20-13-17-6-7-19(12-18(17)14-20)32-28-31-15-21-26(37)22(16-35(2)27(21)33-28)25-23(29)4-3-5-24(25)30/h3-7,12,15-16,20H,8-11,13-14H2,1-2H3,(H,31,32,33)
InChIKeyOSFFQVREPNMQJL-UHFFFAOYSA-N
MW535.48 g/mol
LogP4.76
Rot. Bonds4

About 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

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 (PubChem CID 71555711) has the molecular formula C28H28Cl2N6O and a molecular weight of 535.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID71555711
Molecular FormulaC28H28Cl2N6O
Molecular Weight535.48 g/mol
Exact Mass534.17
IUPAC Name6-(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
SMILESCN1CCN(C2Cc3ccc(Nc4ncc5c(=O)c(-c6c(Cl)cccc6Cl)cn(C)c5n4)cc3C2)CC1
InChIInChI=1S/C28H28Cl2N6O/c1-34-8-10-36(11-9-34)20-13-17-6-7-19(12-18(17)14-20)32-28-31-15-21-26(37)22(16-35(2)27(21)33-28)25-23(29)4-3-5-24(25)30/h3-7,12,15-16,20H,8-11,13-14H2,1-2H3,(H,31,32,33)
InChIKeyOSFFQVREPNMQJL-UHFFFAOYSA-N
XLogP4.76
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

6-(2,6-dichlorophenyl)-8-methyl-2-(3-methyl-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-5-one
CID 118189169
6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one
CID 71724719
3-(2,6-dichlorophenyl)-1-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 58289952
6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10006987
8-(1-adamantyl)-6-(2-chlorophenyl)-2-[3-ethoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 166625279
8-(1-adamantyl)-6-(2-chlorophenyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 166628959
6-(2,6-dichlorophenyl)-2-(4-hydroxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142923567
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-chloro-N-[3-chloro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-cyclopropylsulfonylindol-3-yl)pyrimidin-2-amine
CID 151381875
5-chloro-N-[3-chloro-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-cyclopropylindol-3-yl)pyrimidin-2-amine
CID 151307985
3-(2,6-dichlorophenyl)-7-[[2-[(2S)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-4-imino-1-methylpyrimido[4,5-d]pyrimidin-2-one
CID 58289905
3-(2,6-dichlorophenyl)-2-methyl-7-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 155201665

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(C2Cc3ccc(Nc4ncc5c(=O)c(-c6c(Cl)cccc6Cl)cn(C)c5n4)cc3C2)CC1.
What is the InChIKey of 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?
The InChIKey is OSFFQVREPNMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N6O/c1-34-8-10-36(11-9-34)20-13-17-6-7-19(12-18(17)14-20)32-28-31-15-21-26(37)22(16-35(2)27(21)33-28)25-23(29)4-3-5-24(25)30/h3-7,12,15-16,20H,8-11,13-14H2,1-2H3,(H,31,32,33).
What are the key properties of 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?
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 has a molecular weight of 535.48 g/mol, XLogP of 4.76, 4 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-[[2-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 71555711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).