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

C22H23F2N7O — CID 167501440

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

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 167501440) has the molecular formula C22H23F2N7O and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

• Compound Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
• PubChem CID: 167501440
• Molecular Formula: C22H23F2N7O
• Molecular Weight: 439.47 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
• SMILES: Cc1cn2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@H](F)C4)n4cc(C)nc34)cc(F)c2n1
• InChI: InChI=1S/C22H23F2N7O/c1-12-7-29(11-18(24)25-12)19-5-4-16(20-26-14(3)9-31(19)20)22(32)28-15-6-17(23)21-27-13(2)8-30(21)10-15/h4-6,8-10,12,18,25H,7,11H2,1-3H3,(H,28,32)/t12-,18+/m1/s1
• InChIKey: MIXRSUNQOJXVBO-XIKOKIGWSA-N
• XLogP: 3.08
• TPSA: 78.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.47
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide (CID 167501440) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide.

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

The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4C[C@@H](C)N[C@H](F)C4)n4cc(C)nc34)cc(F)c2n1.

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

The InChIKey is MIXRSUNQOJXVBO-XIKOKIGWSA-N. The full InChI is InChI=1S/C22H23F2N7O/c1-12-7-29(11-18(24)25-12)19-5-4-16(20-26-14(3)9-31(19)20)22(32)28-15-6-17(23)21-27-13(2)8-30(21)10-15/h4-6,8-10,12,18,25H,7,11H2,1-3H3,(H,28,32)/t12-,18+/m1/s1.

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

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.08, 3 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)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 167501440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).