2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen

C34H51N7O3S — CID 162073509

About 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen

2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen (PubChem CID 162073509) has the molecular formula C34H51N7O3S and a molecular weight of 637.90 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen
• PubChem CID: 162073509
• Molecular Formula: C34H51N7O3S
• Molecular Weight: 637.90 g/mol
• Exact Mass: 637.38
• IUPAC Name: 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen
• SMILES: CN(C)CCCN(C)c1ccccc1C1SC(CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)N1CCC(C)(C)C.[H][H]
• InChI: InChI=1S/C34H49N7O3S.H2/c1-34(2,3)16-22-40-31(43)28(45-32(40)25-11-7-8-12-26(25)38(6)19-10-18-37(4)5)23-29(42)39-20-14-24(15-21-39)41-27-13-9-17-35-30(27)36-33(41)44;/h7-9,11-13,17,24,28,32H,10,14-16,18-23H2,1-6H3,(H,35,36,44);1H
• InChIKey: ZBKCITLXJLSWMK-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 97.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.90
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen?

The IUPAC name of 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen (CID 162073509) is 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen.

What is the SMILES notation for 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen?

The canonical SMILES for 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen is CN(C)CCCN(C)c1ccccc1C1SC(CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)N1CCC(C)(C)C.[H][H].

What is the InChIKey of 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen?

The InChIKey is ZBKCITLXJLSWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N7O3S.H2/c1-34(2,3)16-22-40-31(43)28(45-32(40)25-11-7-8-12-26(25)38(6)19-10-18-37(4)5)23-29(42)39-20-14-24(15-21-39)41-27-13-9-17-35-30(27)36-33(41)44;/h7-9,11-13,17,24,28,32H,10,14-16,18-23H2,1-6H3,(H,35,36,44);1H.

What are the key properties of 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen?

2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen has a molecular weight of 637.90 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(dimethylamino)propyl-methylamino]phenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one;molecular hydrogen is sourced from PubChem (CID 162073509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).