3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

C23H22Cl2N4O3S — CID 69481921

IUPAC3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESCc1cc(C)c(S(=O)(=O)N2C=C3CN=C(NC(=O)c4ccc(Cl)c(Cl)c4)N=C3CC2)c(C)c1
InChIInChI=1S/C23H22Cl2N4O3S/c1-13-8-14(2)21(15(3)9-13)33(31,32)29-7-6-20-17(12-29)11-26-23(27-20)28-22(30)16-4-5-18(24)19(25)10-16/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,26,28,30)
InChIKeyPMIFEPIARWUMJQ-UHFFFAOYSA-N
MW505.43 g/mol
LogP4.44
Rot. Bonds3

About 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (PubChem CID 69481921) has the molecular formula C23H22Cl2N4O3S and a molecular weight of 505.43 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
PubChem CID69481921
Molecular FormulaC23H22Cl2N4O3S
Molecular Weight505.43 g/mol
Exact Mass504.08
IUPAC Name3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESCc1cc(C)c(S(=O)(=O)N2C=C3CN=C(NC(=O)c4ccc(Cl)c(Cl)c4)N=C3CC2)c(C)c1
InChIInChI=1S/C23H22Cl2N4O3S/c1-13-8-14(2)21(15(3)9-13)33(31,32)29-7-6-20-17(12-29)11-26-23(27-20)28-22(30)16-4-5-18(24)19(25)10-16/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,26,28,30)
InChIKeyPMIFEPIARWUMJQ-UHFFFAOYSA-N
XLogP4.44
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (CID 69481921) is 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is Cc1cc(C)c(S(=O)(=O)N2C=C3CN=C(NC(=O)c4ccc(Cl)c(Cl)c4)N=C3CC2)c(C)c1.
What is the InChIKey of 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is PMIFEPIARWUMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3S/c1-13-8-14(2)21(15(3)9-13)33(31,32)29-7-6-20-17(12-29)11-26-23(27-20)28-22(30)16-4-5-18(24)19(25)10-16/h4-5,8-10,12H,6-7,11H2,1-3H3,(H,26,28,30).
What are the key properties of 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 505.43 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[6-(2,4,6-trimethylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 69481921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).