N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide

C21H25FN8O — CID 166507441

About N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide

N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide (PubChem CID 166507441) has the molecular formula C21H25FN8O and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 166507441
• Molecular Formula: C21H25FN8O
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.21
• IUPAC Name: N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
• SMILES: Cc1cn2cc(NC(=O)c3cnc(N4CC(CN5CC[C@H](F)C5)C4)cn3)nc(C)c2n1
• InChI: InChI=1S/C21H25FN8O/c1-13-7-30-12-18(26-14(2)20(30)25-13)27-21(31)17-5-24-19(6-23-17)29-9-15(10-29)8-28-4-3-16(22)11-28/h5-7,12,15-16H,3-4,8-11H2,1-2H3,(H,27,31)/t16-/m0/s1
• InChIKey: GDQHSRGGJKWSRX-INIZCTEOSA-N
• XLogP: 1.87
• TPSA: 91.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide (CID 166507441) is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide is Cc1cn2cc(NC(=O)c3cnc(N4CC(CN5CC[C@H](F)C5)C4)cn3)nc(C)c2n1.

What is the InChIKey of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is GDQHSRGGJKWSRX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25FN8O/c1-13-7-30-12-18(26-14(2)20(30)25-13)27-21(31)17-5-24-19(6-23-17)29-9-15(10-29)8-28-4-3-16(22)11-28/h5-7,12,15-16H,3-4,8-11H2,1-2H3,(H,27,31)/t16-/m0/s1.

What are the key properties of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide?

N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 166507441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).