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

C22H22FN7O — CID 167500253

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

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide (PubChem CID 167500253) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
• PubChem CID: 167500253
• Molecular Formula: C22H22FN7O
• Molecular Weight: 419.46 g/mol
• Exact Mass: 419.19
• IUPAC Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
• SMILES: CN[C@@H]1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c3nccnc23)C1
• InChI: InChI=1S/C22H22FN7O/c1-13-10-30-12-15(9-17(23)21(30)27-13)28-22(31)16-3-4-18(20-19(16)25-6-7-26-20)29-8-5-14(11-29)24-2/h3-4,6-7,9-10,12,14,24H,5,8,11H2,1-2H3,(H,28,31)/t14-/m1/s1
• InChIKey: HTRYPBVZMAPZAC-CQSZACIVSA-N
• XLogP: 2.78
• TPSA: 87.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.46
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide (CID 167500253) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide.

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

The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide is CN[C@@H]1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c3nccnc23)C1.

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

The InChIKey is HTRYPBVZMAPZAC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-13-10-30-12-15(9-17(23)21(30)27-13)28-22(31)16-3-4-18(20-19(16)25-6-7-26-20)29-8-5-14(11-29)24-2/h3-4,6-7,9-10,12,14,24H,5,8,11H2,1-2H3,(H,28,31)/t14-/m1/s1.

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

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 167500253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).