tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate

C24H28FN7O3 — CID 166507784

About tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate

tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate (PubChem CID 166507784) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate
• PubChem CID: 166507784
• Molecular Formula: C24H28FN7O3
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.22
• IUPAC Name: tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate
• SMILES: Cc1cn2cc(NC(=O)c3cnc(N4C[C@@H](NC(=O)OC(C)(C)C)C5(CC5)C4)cn3)cc(F)c2n1
• InChI: InChI=1S/C24H28FN7O3/c1-14-10-31-11-15(7-16(25)20(31)28-14)29-21(33)17-8-27-19(9-26-17)32-12-18(24(13-32)5-6-24)30-22(34)35-23(2,3)4/h7-11,18H,5-6,12-13H2,1-4H3,(H,29,33)(H,30,34)/t18-/m1/s1
• InChIKey: MMYGZYFGUPFSJL-GOSISDBHSA-N
• XLogP: 3.32
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate?

The IUPAC name of tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate (CID 166507784) is tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate?

The canonical SMILES for tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate is Cc1cn2cc(NC(=O)c3cnc(N4C[C@@H](NC(=O)OC(C)(C)C)C5(CC5)C4)cn3)cc(F)c2n1.

What is the InChIKey of tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate?

The InChIKey is MMYGZYFGUPFSJL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28FN7O3/c1-14-10-31-11-15(7-16(25)20(31)28-14)29-21(33)17-8-27-19(9-26-17)32-12-18(24(13-32)5-6-24)30-22(34)35-23(2,3)4/h7-11,18H,5-6,12-13H2,1-4H3,(H,29,33)(H,30,34)/t18-/m1/s1.

What are the key properties of tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate?

tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate has a molecular weight of 481.53 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(7S)-5-[5-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]pyrazin-2-yl]-5-azaspiro[2.4]heptan-7-yl]carbamate is sourced from PubChem (CID 166507784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).