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

C23H24FN7O2 — CID 167500194

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

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide (PubChem CID 167500194) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-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)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
• PubChem CID: 167500194
• Molecular Formula: C23H24FN7O2
• Molecular Weight: 449.49 g/mol
• Exact Mass: 449.20
• IUPAC Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
• SMILES: CN[C@@H]1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c3nc(OC)cnc23)C1
• InChI: InChI=1S/C23H24FN7O2/c1-13-10-31-12-15(8-17(24)22(31)27-13)28-23(32)16-4-5-18(30-7-6-14(11-30)25-2)21-20(16)29-19(33-3)9-26-21/h4-5,8-10,12,14,25H,6-7,11H2,1-3H3,(H,28,32)/t14-/m1/s1
• InChIKey: WUNVLGFOVHHNBW-CQSZACIVSA-N
• XLogP: 2.78
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.49
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-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)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide (CID 167500194) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-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)-3-methoxy-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)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide is CN[C@@H]1CCN(c2ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c3nc(OC)cnc23)C1.

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

The InChIKey is WUNVLGFOVHHNBW-CQSZACIVSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-13-10-31-12-15(8-17(24)22(31)27-13)28-23(32)16-4-5-18(30-7-6-14(11-30)25-2)21-20(16)29-19(33-3)9-26-21/h4-5,8-10,12,14,25H,6-7,11H2,1-3H3,(H,28,32)/t14-/m1/s1.

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

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-3-methoxy-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 167500194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).