N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

C33H31F2N7O6S — CID 169302869

About N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 169302869) has the molecular formula C33H31F2N7O6S and a molecular weight of 691.72 g/mol. Its IUPAC name is N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
• PubChem CID: 169302869
• Molecular Formula: C33H31F2N7O6S
• Molecular Weight: 691.72 g/mol
• Exact Mass: 691.20
• IUPAC Name: N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
• SMILES: Cc1cc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)ncc1S(=O)(=O)N(C)C
• InChI: InChI=1S/C33H31F2N7O6S/c1-19(2)41-18-25(32(44)42(33(41)45)23-9-6-21(34)7-10-23)31(43)38-22-8-11-27(26(35)15-22)48-24-12-13-36-30(16-24)39-29-14-20(3)28(17-37-29)49(46,47)40(4)5/h6-19H,1-5H3,(H,38,43)(H,36,37,39)
• InChIKey: GRUNJVATCGAOIE-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 157.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.72
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The IUPAC name of N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 169302869) is N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

What is the SMILES notation for N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The canonical SMILES for N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is Cc1cc(Nc2cc(Oc3ccc(NC(=O)c4cn(C(C)C)c(=O)n(-c5ccc(F)cc5)c4=O)cc3F)ccn2)ncc1S(=O)(=O)N(C)C.

What is the InChIKey of N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

The InChIKey is GRUNJVATCGAOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N7O6S/c1-19(2)41-18-25(32(44)42(33(41)45)23-9-6-21(34)7-10-23)31(43)38-22-8-11-27(26(35)15-22)48-24-12-13-36-30(16-24)39-29-14-20(3)28(17-37-29)49(46,47)40(4)5/h6-19H,1-5H3,(H,38,43)(H,36,37,39).

What are the key properties of N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?

N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 691.72 g/mol, XLogP of 5.00, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[[5-(dimethylsulfamoyl)-4-methyl-2-pyridinyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 169302869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).