2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

C25H29N7O3S — CID 118492584

About 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide

2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 118492584) has the molecular formula C25H29N7O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 118492584
• Molecular Formula: C25H29N7O3S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.21
• IUPAC Name: 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: O=C(Cc1ccccn1)Nc1ccc(C[C@@H]2CC[C@H](c3nnc(NC(=O)C[C@H]4CCCO4)s3)C2)nn1
• InChI: InChI=1S/C25H29N7O3S/c33-22(14-18-4-1-2-10-26-18)27-21-9-8-19(29-30-21)13-16-6-7-17(12-16)24-31-32-25(36-24)28-23(34)15-20-5-3-11-35-20/h1-2,4,8-10,16-17,20H,3,5-7,11-15H2,(H,27,30,33)(H,28,32,34)/t16-,17+,20-/m1/s1
• InChIKey: XGKDZEDORBSSJH-FUHIMQAGSA-N
• XLogP: 3.54
• TPSA: 131.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 118492584) is 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1ccccn1)Nc1ccc(C[C@@H]2CC[C@H](c3nnc(NC(=O)C[C@H]4CCCO4)s3)C2)nn1.

What is the InChIKey of 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is XGKDZEDORBSSJH-FUHIMQAGSA-N. The full InChI is InChI=1S/C25H29N7O3S/c33-22(14-18-4-1-2-10-26-18)27-21-9-8-19(29-30-21)13-16-6-7-17(12-16)24-31-32-25(36-24)28-23(34)15-20-5-3-11-35-20/h1-2,4,8-10,16-17,20H,3,5-7,11-15H2,(H,27,30,33)(H,28,32,34)/t16-,17+,20-/m1/s1.

What are the key properties of 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide?

2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 507.62 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-oxolan-2-yl]-N-[5-[(1S,3R)-3-[[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 118492584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).