6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one

C25H21Cl2F2N5O — CID 71724719

IUPAC6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)C1Cc2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)cc(C(F)F)c4n3)cc2C1
InChIInChI=1S/C25H21Cl2F2N5O/c1-33(2)16-9-13-6-7-15(8-14(13)10-16)31-25-30-11-17-21(32-25)18(23(28)29)12-34(24(17)35)22-19(26)4-3-5-20(22)27/h3-8,11-12,16,23H,9-10H2,1-2H3,(H,30,31,32)
InChIKeyXBLBOOAURVCRPR-UHFFFAOYSA-N
MW516.38 g/mol
LogP5.80
Rot. Bonds5

About 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one

6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one (PubChem CID 71724719) has the molecular formula C25H21Cl2F2N5O and a molecular weight of 516.38 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one
PubChem CID71724719
Molecular FormulaC25H21Cl2F2N5O
Molecular Weight516.38 g/mol
Exact Mass515.11
IUPAC Name6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one
SMILESCN(C)C1Cc2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)cc(C(F)F)c4n3)cc2C1
InChIInChI=1S/C25H21Cl2F2N5O/c1-33(2)16-9-13-6-7-15(8-14(13)10-16)31-25-30-11-17-21(32-25)18(23(28)29)12-34(24(17)35)22-19(26)4-3-5-20(22)27/h3-8,11-12,16,23H,9-10H2,1-2H3,(H,30,31,32)
InChIKeyXBLBOOAURVCRPR-UHFFFAOYSA-N
XLogP5.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.38
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-6-(2,6-dichlorophenyl)-2-[[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one
CID 166160089
6-(2,6-dichlorophenyl)-2-[4-[4-(dimethylamino)piperidin-1-yl]-3-methylanilino]-8-(3-methoxyprop-1-ynyl)pyrido[4,3-d]pyrimidin-5-one
CID 142621528
3-(2,6-dichlorophenyl)-7-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138530926
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
6-(2,6-dichlorophenyl)-8-(1H-imidazol-2-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one
CID 71724472
8-bromo-6-[2-[3-[6-(2,6-dichlorophenyl)-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-5-oxopyrido[4,3-d]pyrimidin-8-yl]butyl]-6-methylphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrido[4,3-d]pyrimidin-5-one
CID 166160123
6-(2,6-dichlorophenyl)-8-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimido[4,5-d]pyridazin-5-one
CID 71224163
8-(difluoromethyl)-6-(2,6-difluorophenyl)-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
CID 170437583
6-(2,6-dichlorophenyl)-5-oxo-2-[4-piperidin-4-yl-3-(2,2,2-trifluoroethyl)anilino]pyrido[4,3-d]pyrimidine-8-carbonitrile
CID 134183553
4-amino-3-(2,6-dichlorophenyl)-7-[[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]amino]pyrimido[4,5-d]pyrimidin-2-one
CID 25164715
6-(2,6-dichlorophenyl)-8-methyl-2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]pyrimido[4,5-d]pyridazin-5-one
CID 71223923
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

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 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) is 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one is CN(C)C1Cc2ccc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)cc(C(F)F)c4n3)cc2C1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is XBLBOOAURVCRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F2N5O/c1-33(2)16-9-13-6-7-15(8-14(13)10-16)31-25-30-11-17-21(32-25)18(23(28)29)12-34(24(17)35)22-19(26)4-3-5-20(22)27/h3-8,11-12,16,23H,9-10H2,1-2H3,(H,30,31,32).
What are the key properties of 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one?
6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 516.38 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-(difluoromethyl)-2-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 71724719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).