N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide

C130H132N34O10S5 — CID 158824944

About N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide

N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide (PubChem CID 158824944) has the molecular formula C130H132N34O10S5 and a molecular weight of 2491.05 g/mol. Its IUPAC name is N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide
• PubChem CID: 158824944
• Molecular Formula: C130H132N34O10S5
• Molecular Weight: 2491.05 g/mol
• Exact Mass: 2488.95
• IUPAC Name: N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide
• SMILES: CCC(=O)Cc1ccc(CC2CC(c3cnc(NC(=O)Cc4ccccn4)s3)C2)nn1.O=C(Cc1ccccn1)Cc1ccc(CC2CCC(c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1.O=C(Cc1ccccn1)Cc1ccc(C[C@@H]2CC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1.O=C(Cc1ccccn1)Cc1ccc(C[C@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1.O=C(Cc1ccccn1)Nc1ccc(C2CCC(Cc3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1
• InChI: InChI=1S/3C27H27N7O2S.C26H26N8O2S.C23H25N5O2S/c3*35-24(15-20-5-1-3-11-28-20)16-23-10-9-22(31-32-23)14-18-7-8-19(13-18)26-33-34-27(37-26)30-25(36)17-21-6-2-4-12-29-21;35-23(15-19-5-1-3-11-27-19)29-22-10-9-21(31-32-22)18-8-7-17(13-18)14-25-33-34-26(37-25)30-24(36)16-20-6-2-4-12-28-20;1-2-20(29)12-19-7-6-18(27-28-19)11-15-9-16(10-15)21-14-25-23(31-21)26-22(30)13-17-5-3-4-8-24-17/h3*1-6,9-12,18-19H,7-8,13-17H2,(H,30,34,36);1-6,9-12,17-18H,7-8,13-16H2,(H,29,32,35)(H,30,34,36);3-8,14-16H,2,9-13H2,1H3,(H,25,26,30)/t2*18-,19+;;;/m10.../s1
• InChIKey: IWILOJXCVNDUSR-KMHWBLEGSA-N
• XLogP: 18.71
• TPSA: 603.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 48
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2491.05
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide?

The IUPAC name of N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide (CID 158824944) is N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide?

The canonical SMILES for N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide is CCC(=O)Cc1ccc(CC2CC(c3cnc(NC(=O)Cc4ccccn4)s3)C2)nn1.O=C(Cc1ccccn1)Cc1ccc(CC2CCC(c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1.O=C(Cc1ccccn1)Cc1ccc(C[C@@H]2CC[C@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1.O=C(Cc1ccccn1)Cc1ccc(C[C@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1.O=C(Cc1ccccn1)Nc1ccc(C2CCC(Cc3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1.

What is the InChIKey of N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide?

The InChIKey is IWILOJXCVNDUSR-KMHWBLEGSA-N. The full InChI is InChI=1S/3C27H27N7O2S.C26H26N8O2S.C23H25N5O2S/c3*35-24(15-20-5-1-3-11-28-20)16-23-10-9-22(31-32-23)14-18-7-8-19(13-18)26-33-34-27(37-26)30-25(36)17-21-6-2-4-12-29-21;35-23(15-19-5-1-3-11-27-19)29-22-10-9-21(31-32-22)18-8-7-17(13-18)14-25-33-34-26(37-25)30-24(36)16-20-6-2-4-12-28-20;1-2-20(29)12-19-7-6-18(27-28-19)11-15-9-16(10-15)21-14-25-23(31-21)26-22(30)13-17-5-3-4-8-24-17/h3*1-6,9-12,18-19H,7-8,13-17H2,(H,30,34,36);1-6,9-12,17-18H,7-8,13-16H2,(H,29,32,35)(H,30,34,36);3-8,14-16H,2,9-13H2,1H3,(H,25,26,30)/t2*18-,19+;;;/m10.../s1.

What are the key properties of N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide?

N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide has a molecular weight of 2491.05 g/mol, XLogP of 18.71, 48 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1R,3S)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[(1S,3R)-3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;N-[5-[3-[[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide;2-pyridin-2-yl-N-[6-[3-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclopentyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 158824944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).