(8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid

C64H80F2N16O7Si — CID 157266780

About (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid

(8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid (PubChem CID 157266780) has the molecular formula C64H80F2N16O7Si and a molecular weight of 1251.53 g/mol. Its IUPAC name is (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid.

Molecular Properties

• Compound Name: (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid
• PubChem CID: 157266780
• Molecular Formula: C64H80F2N16O7Si
• Molecular Weight: 1251.53 g/mol
• Exact Mass: 1250.61
• IUPAC Name: (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid
• SMILES: C[Si](C)(C)CCOCn1ccc2c(N3CC[C@@H](C(=O)O)C4(CC4)C3)ncnc21.Cc1cc([C@@H](O)CNC(=O)[C@@H]2CCN(c3ncnc4[nH]ccc34)CC23CC3)ncc1F.Cc1cc([C@H](O)CNC(=O)[C@@H]2CCN(c3ncnc4[nH]ccc34)CC23CC3)ncc1F
• InChI: InChI=1S/2C22H25FN6O2.C20H30N4O3Si/c2*1-13-8-17(25-9-16(13)23)18(30)10-26-21(31)15-3-7-29(11-22(15)4-5-22)20-14-2-6-24-19(14)27-12-28-20;1-28(2,3)11-10-27-14-24-8-4-15-17(21-13-22-18(15)24)23-9-5-16(19(25)26)20(12-23)6-7-20/h2*2,6,8-9,12,15,18,30H,3-5,7,10-11H2,1H3,(H,26,31)(H,24,27,28);4,8,13,16H,5-7,9-12,14H2,1-3H3,(H,25,26)/t15-,18+;15-,18-;16-/m000/s1
• InChIKey: AYBXQSMZKNSDJI-UDIXBRLCSA-N
• XLogP: 7.95
• TPSA: 294.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1251.53
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid?

The IUPAC name of (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid (CID 157266780) is (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid.

What is the SMILES notation for (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid?

The canonical SMILES for (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid is C[Si](C)(C)CCOCn1ccc2c(N3CC[C@@H](C(=O)O)C4(CC4)C3)ncnc21.Cc1cc([C@@H](O)CNC(=O)[C@@H]2CCN(c3ncnc4[nH]ccc34)CC23CC3)ncc1F.Cc1cc([C@H](O)CNC(=O)[C@@H]2CCN(c3ncnc4[nH]ccc34)CC23CC3)ncc1F.

What is the InChIKey of (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid?

The InChIKey is AYBXQSMZKNSDJI-UDIXBRLCSA-N. The full InChI is InChI=1S/2C22H25FN6O2.C20H30N4O3Si/c2*1-13-8-17(25-9-16(13)23)18(30)10-26-21(31)15-3-7-29(11-22(15)4-5-22)20-14-2-6-24-19(14)27-12-28-20;1-28(2,3)11-10-27-14-24-8-4-15-17(21-13-22-18(15)24)23-9-5-16(19(25)26)20(12-23)6-7-20/h2*2,6,8-9,12,15,18,30H,3-5,7,10-11H2,1H3,(H,26,31)(H,24,27,28);4,8,13,16H,5-7,9-12,14H2,1-3H3,(H,25,26)/t15-,18+;15-,18-;16-/m000/s1.

What are the key properties of (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid?

(8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid has a molecular weight of 1251.53 g/mol, XLogP of 7.95, 17 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-N-[(2S)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-N-[(2R)-2-(5-fluoro-4-methyl-2-pyridinyl)-2-hydroxyethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide;(8R)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylic acid is sourced from PubChem (CID 157266780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).