N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

C29H31N7O3S — CID 59588458

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 59588458) has the molecular formula C29H31N7O3S and a molecular weight of 557.68 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 59588458
• Molecular Formula: C29H31N7O3S
• Molecular Weight: 557.68 g/mol
• Exact Mass: 557.22
• IUPAC Name: N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12
• InChI: InChI=1S/C29H31N7O3S/c1-18(2)14-21(16-37)31-27(38)25-24(20-9-13-40-17-20)32-26-22(6-5-12-36(25)26)29-34-33-28(39-29)19-7-8-23(30-15-19)35-10-3-4-11-35/h5-9,12-13,15,17-18,21,37H,3-4,10-11,14,16H2,1-2H3,(H,31,38)/t21-/m0/s1
• InChIKey: WFHDAWOMMYXUAP-NRFANRHFSA-N
• XLogP: 4.91
• TPSA: 121.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.68
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 59588458) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(-c3nnc(-c4ccc(N5CCCC5)nc4)o3)cccn12.

What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is WFHDAWOMMYXUAP-NRFANRHFSA-N. The full InChI is InChI=1S/C29H31N7O3S/c1-18(2)14-21(16-37)31-27(38)25-24(20-9-13-40-17-20)32-26-22(6-5-12-36(25)26)29-34-33-28(39-29)19-7-8-23(30-15-19)35-10-3-4-11-35/h5-9,12-13,15,17-18,21,37H,3-4,10-11,14,16H2,1-2H3,(H,31,38)/t21-/m0/s1.

What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 557.68 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 59588458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).