5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide

C19H22FN7O — CID 166507752

About 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide

5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507752) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
• PubChem CID: 166507752
• Molecular Formula: C19H22FN7O
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.19
• IUPAC Name: 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
• SMILES: CCN[C@@H]1CCN(c2cnc(C(=O)Nc3cc(F)c4nc(C)cn4c3)cn2)C1
• InChI: InChI=1S/C19H22FN7O/c1-3-21-13-4-5-26(10-13)17-8-22-16(7-23-17)19(28)25-14-6-15(20)18-24-12(2)9-27(18)11-14/h6-9,11,13,21H,3-5,10H2,1-2H3,(H,25,28)/t13-/m1/s1
• InChIKey: HCENIMHNFPYWOT-CYBMUJFWSA-N
• XLogP: 2.01
• TPSA: 87.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?

The IUPAC name of 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide (CID 166507752) is 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?

The canonical SMILES for 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide is CCN[C@@H]1CCN(c2cnc(C(=O)Nc3cc(F)c4nc(C)cn4c3)cn2)C1.

What is the InChIKey of 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?

The InChIKey is HCENIMHNFPYWOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-3-21-13-4-5-26(10-13)17-8-22-16(7-23-17)19(28)25-14-6-15(20)18-24-12(2)9-27(18)11-14/h6-9,11,13,21H,3-5,10H2,1-2H3,(H,25,28)/t13-/m1/s1.

What are the key properties of 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide?

5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).