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

C27H35N5O3S — CID 160879984

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

2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen (PubChem CID 160879984) has the molecular formula C27H35N5O3S and a molecular weight of 509.68 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen
• PubChem CID: 160879984
• Molecular Formula: C27H35N5O3S
• Molecular Weight: 509.68 g/mol
• Exact Mass: 509.25
• IUPAC Name: 2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen
• SMILES: CC(C)(C)CC1SC(CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)N1c1ccccc1.[H][H]
• InChI: InChI=1S/C27H33N5O3S.H2/c1-27(2,3)17-23-32(18-8-5-4-6-9-18)25(34)21(36-23)16-22(33)30-14-11-19(12-15-30)31-20-10-7-13-28-24(20)29-26(31)35;/h4-10,13,19,21,23H,11-12,14-17H2,1-3H3,(H,28,29,35);1H
• InChIKey: SMXDXSKBFDTXHF-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 91.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.68
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen (CID 160879984) is 2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen.

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

The canonical SMILES for 2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen is CC(C)(C)CC1SC(CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)N1c1ccccc1.[H][H].

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

The InChIKey is SMXDXSKBFDTXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S.H2/c1-27(2,3)17-23-32(18-8-5-4-6-9-18)25(34)21(36-23)16-22(33)30-14-11-19(12-15-30)31-20-10-7-13-28-24(20)29-26(31)35;/h4-10,13,19,21,23H,11-12,14-17H2,1-3H3,(H,28,29,35);1H.

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

2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen has a molecular weight of 509.68 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dimethylpropyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-3-phenyl-1,3-thiazolidin-4-one;molecular hydrogen is sourced from PubChem (CID 160879984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).