6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

C25H25F2N7O2 — CID 169188325

IUPAC6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(OCCN4CCNCC4)nc3)nc21
InChIInChI=1S/C25H25F2N7O2/c1-33-23-16(13-18(24(33)35)22-19(26)3-2-4-20(22)27)14-30-25(32-23)31-17-5-6-21(29-15-17)36-12-11-34-9-7-28-8-10-34/h2-6,13-15,28H,7-12H2,1H3,(H,30,31,32)
InChIKeyJKMKDNJRGAOZGL-UHFFFAOYSA-N
MW493.52 g/mol
LogP2.70
Rot. Bonds7

About 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 169188325) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID169188325
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC Name6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(OCCN4CCNCC4)nc3)nc21
InChIInChI=1S/C25H25F2N7O2/c1-33-23-16(13-18(24(33)35)22-19(26)3-2-4-20(22)27)14-30-25(32-23)31-17-5-6-21(29-15-17)36-12-11-34-9-7-28-8-10-34/h2-6,13-15,28H,7-12H2,1H3,(H,30,31,32)
InChIKeyJKMKDNJRGAOZGL-UHFFFAOYSA-N
XLogP2.70
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(2-chloro-6-fluorophenyl)-2-[3-(hydroxymethyl)-4-piperazin-1-ylanilino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 58395708
6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-fluoro-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 169188478
5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine
CID 175907010
6-(2,6-dichlorophenyl)-2-(4-hydroxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142923567
6-(2,6-dichlorophenyl)-2-[4-[2-[ethyl(methyl)amino]ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 167312582
6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381980
6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10006987
1-[2-(2,3-difluorophenoxy)ethyl]piperazine
CID 63037635
6-(2,6-dichlorophenyl)-8-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-7-one
CID 10362936
8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)-6-phenylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 66760579
2-[4-[(E)-2-aminoethenoxy]anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 90369679
6-(2,6-dichlorophenyl)-2-[3-(ethoxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142857829

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 169188325) is 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(OCCN4CCNCC4)nc3)nc21.
What is the InChIKey of 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JKMKDNJRGAOZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-33-23-16(13-18(24(33)35)22-19(26)3-2-4-20(22)27)14-30-25(32-23)31-17-5-6-21(29-15-17)36-12-11-34-9-7-28-8-10-34/h2-6,13-15,28H,7-12H2,1H3,(H,30,31,32).
What are the key properties of 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 493.52 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169188325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).