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]-N-methylcarbamate

C25H30FN7O3 — CID 166507561

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]-N-methylcarbamate

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]-N-methylcarbamate (PubChem CID 166507561) has the molecular formula C25H30FN7O3 and a molecular weight of 495.56 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]-N-methylcarbamate.

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]-N-methylcarbamate
• PubChem CID: 166507561
• Molecular Formula: C25H30FN7O3
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.24
• 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]-N-methylcarbamate
• SMILES: Cc1cn2cc(NC(=O)c3cnc(N4C[C@@H](N(C)C(=O)OC(C)(C)C)C5(CC5)C4)cn3)cc(F)c2n1
• InChI: InChI=1S/C25H30FN7O3/c1-15-11-32-12-16(8-17(26)21(32)29-15)30-22(34)18-9-28-20(10-27-18)33-13-19(25(14-33)6-7-25)31(5)23(35)36-24(2,3)4/h8-12,19H,6-7,13-14H2,1-5H3,(H,30,34)/t19-/m1/s1
• InChIKey: DMEUYRDRQGOFPE-LJQANCHMSA-N
• XLogP: 3.66
• TPSA: 104.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
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]-N-methylcarbamate?

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]-N-methylcarbamate (CID 166507561) 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]-N-methylcarbamate.

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]-N-methylcarbamate?

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]-N-methylcarbamate is Cc1cn2cc(NC(=O)c3cnc(N4C[C@@H](N(C)C(=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]-N-methylcarbamate?

The InChIKey is DMEUYRDRQGOFPE-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30FN7O3/c1-15-11-32-12-16(8-17(26)21(32)29-15)30-22(34)18-9-28-20(10-27-18)33-13-19(25(14-33)6-7-25)31(5)23(35)36-24(2,3)4/h8-12,19H,6-7,13-14H2,1-5H3,(H,30,34)/t19-/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]-N-methylcarbamate?

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]-N-methylcarbamate has a molecular weight of 495.56 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 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]-N-methylcarbamate is sourced from PubChem (CID 166507561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).