2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide

C26H29N7O4 — CID 169112763

About 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide

2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 169112763) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide
• PubChem CID: 169112763
• Molecular Formula: C26H29N7O4
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.23
• IUPAC Name: 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide
• SMILES: C[C@H]1CC[C@H](c2ccc3cn(C4CCN(C)C4)nc3c2)N(C(=O)C(=O)Nc2cnc3o[nH]c(=O)c3c2)C1
• InChI: InChI=1S/C26H29N7O4/c1-15-3-6-22(16-4-5-17-13-33(29-21(17)9-16)19-7-8-31(2)14-19)32(12-15)26(36)24(35)28-18-10-20-23(34)30-37-25(20)27-11-18/h4-5,9-11,13,15,19,22H,3,6-8,12,14H2,1-2H3,(H,28,35)(H,30,34)/t15-,19?,22+/m0/s1
• InChIKey: ZYRPNEYYMNUXJY-KTJPTWAYSA-N
• XLogP: 2.68
• TPSA: 129.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide?

The IUPAC name of 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide (CID 169112763) is 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide.

What is the SMILES notation for 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide?

The canonical SMILES for 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide is C[C@H]1CC[C@H](c2ccc3cn(C4CCN(C)C4)nc3c2)N(C(=O)C(=O)Nc2cnc3o[nH]c(=O)c3c2)C1.

What is the InChIKey of 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide?

The InChIKey is ZYRPNEYYMNUXJY-KTJPTWAYSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-15-3-6-22(16-4-5-17-13-33(29-21(17)9-16)19-7-8-31(2)14-19)32(12-15)26(36)24(35)28-18-10-20-23(34)30-37-25(20)27-11-18/h4-5,9-11,13,15,19,22H,3,6-8,12,14H2,1-2H3,(H,28,35)(H,30,34)/t15-,19?,22+/m0/s1.

What are the key properties of 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide?

2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 503.56 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 169112763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).