6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

C25H23BrClN5O3S — CID 70934502

IUPAC6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(Br)cc2Cl)cc2cnc(Nc3ccc(C4CNCCS4(=O)=O)cc3)nc21
InChIInChI=1S/C25H23BrClN5O3S/c1-2-32-23-16(11-20(24(32)33)19-8-5-17(26)12-21(19)27)13-29-25(31-23)30-18-6-3-15(4-7-18)22-14-28-9-10-36(22,34)35/h3-8,11-13,22,28H,2,9-10,14H2,1H3,(H,29,30,31)
InChIKeySLZXWRVZWKABJR-UHFFFAOYSA-N
MW588.92 g/mol
LogP4.70
Rot. Bonds5

About 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 70934502) has the molecular formula C25H23BrClN5O3S and a molecular weight of 588.92 g/mol. Its IUPAC name is 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID70934502
Molecular FormulaC25H23BrClN5O3S
Molecular Weight588.92 g/mol
Exact Mass587.04
IUPAC Name6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(Br)cc2Cl)cc2cnc(Nc3ccc(C4CNCCS4(=O)=O)cc3)nc21
InChIInChI=1S/C25H23BrClN5O3S/c1-2-32-23-16(11-20(24(32)33)19-8-5-17(26)12-21(19)27)13-29-25(31-23)30-18-6-3-15(4-7-18)22-14-28-9-10-36(22,34)35/h3-8,11-13,22,28H,2,9-10,14H2,1H3,(H,29,30,31)
InChIKeySLZXWRVZWKABJR-UHFFFAOYSA-N
XLogP4.70
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.92
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[(3-bromophenyl)amino]-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327892
6-(2,6-Dichlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381737
6-(2,6-Dichlorophenyl)-8-methyl-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381980
6-(4-Chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135382280
6-(2-Chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135382283
6-(2-Chloro-4-fluorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135382597
N-[4-[[6-(2-chlorophenyl)-2-[4-(diethylamino)butylamino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]methyl]phenyl]prop-2-enamide
CID 137633737
6-(2-Chlorophenyl)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551702
6-(2-Chloro-5-methylsulfonylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 54755305
6-(2-Chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-[(2-methylsulfonylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 54755565
6-(4-Bromo-2-chlorophenyl)-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
CID 89628340
6-(2-Chloro-4-methylsulfonylphenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89628368

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 70934502) is 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(Br)cc2Cl)cc2cnc(Nc3ccc(C4CNCCS4(=O)=O)cc3)nc21.
What is the InChIKey of 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SLZXWRVZWKABJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrClN5O3S/c1-2-32-23-16(11-20(24(32)33)19-8-5-17(26)12-21(19)27)13-29-25(31-23)30-18-6-3-15(4-7-18)22-14-28-9-10-36(22,34)35/h3-8,11-13,22,28H,2,9-10,14H2,1H3,(H,29,30,31).
What are the key properties of 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 588.92 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-chlorophenyl)-2-[4-(1,1-dioxo-1,4-thiazinan-2-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70934502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).