2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide)

C111H104F2N18O19S3 — CID 161023957

About 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide)

2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide) (PubChem CID 161023957) has the molecular formula C111H104F2N18O19S3 and a molecular weight of 2128.36 g/mol. Its IUPAC name is 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide).

Molecular Properties

• Compound Name: 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide)
• PubChem CID: 161023957
• Molecular Formula: C111H104F2N18O19S3
• Molecular Weight: 2128.36 g/mol
• Exact Mass: 2126.69
• IUPAC Name: 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide)
• SMILES: COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(CC(=O)c3ccc(C)c(OC)c3)c2)cc(OC)c1.COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(CC(=O)c3ccc(C)c(OC)c3)c2)cc(OC)c1.COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cn1.COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/2C32H30N4O6S.C25H17F2N5O3S.C22H27N5O4/c2*1-20-12-13-22(16-30(20)42-4)29(37)15-21-8-7-9-26(14-21)43(38,39)36-32-31(34-27-10-5-6-11-28(27)35-32)33-23-17-24(40-2)19-25(18-23)41-3;1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16;1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h2*5-14,16-19H,15H2,1-4H3,(H,33,34)(H,35,36);2-14,32H,1H3;3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)
• InChIKey: TYSXHGTWIBUSRE-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 489.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.36
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide)?

The IUPAC name of 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide) (CID 161023957) is 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide).

What is the SMILES notation for 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide)?

The canonical SMILES for 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide) is COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(CC(=O)c3ccc(C)c(OC)c3)c2)cc(OC)c1.COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(CC(=O)c3ccc(C)c(OC)c3)c2)cc(OC)c1.COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cn1.COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide)?

The InChIKey is TYSXHGTWIBUSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H30N4O6S.C25H17F2N5O3S.C22H27N5O4/c2*1-20-12-13-22(16-30(20)42-4)29(37)15-21-8-7-9-26(14-21)43(38,39)36-32-31(34-27-10-5-6-11-28(27)35-32)33-23-17-24(40-2)19-25(18-23)41-3;1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16;1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h2*5-14,16-19H,15H2,1-4H3,(H,33,34)(H,35,36);2-14,32H,1H3;3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26).

What are the key properties of 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide)?

2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide) has a molecular weight of 2128.36 g/mol, XLogP of 18.95, 34 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide;bis(N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3-[2-(3-methoxy-4-methylphenyl)-2-oxoethyl]benzenesulfonamide) is sourced from PubChem (CID 161023957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).