N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide

C78H82FN13O6S2 — CID 157416430

About N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide

N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 157416430) has the molecular formula C78H82FN13O6S2 and a molecular weight of 1380.73 g/mol. Its IUPAC name is N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
• PubChem CID: 157416430
• Molecular Formula: C78H82FN13O6S2
• Molecular Weight: 1380.73 g/mol
• Exact Mass: 1379.59
• IUPAC Name: N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
• SMILES: C.CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)C1.Cc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)cccc2n1.Cc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3F)cccc2n1.[C-]#[N+]Cc1ccc(-c2cccc3nc(C)cn23)cc1
• InChI: InChI=1S/C23H24N4O2.C19H20FN3O2S.C19H21N3O2S.C16H13N3.CH4/c1-23(2)13-26(14-23)22(29)17-10-6-15(7-11-17)18-4-3-5-20-24-19(12-27(18)20)25-21(28)16-8-9-16;1-14-12-23-18(3-2-4-19(23)21-14)16-6-5-15(11-17(16)20)13-22-7-9-26(24,25)10-8-22;1-15-13-22-18(3-2-4-19(22)20-15)17-7-5-16(6-8-17)14-21-9-11-25(23,24)12-10-21;1-12-11-19-15(4-3-5-16(19)18-12)14-8-6-13(7-9-14)10-17-2;/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,25,28);2-6,11-12H,7-10,13H2,1H3;2-8,13H,9-12,14H2,1H3;3-9,11H,10H2,1H3;1H4
• InChIKey: BOXAQDPMVQOWQK-UHFFFAOYSA-N
• XLogP: 13.42
• TPSA: 197.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.73
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?

The IUPAC name of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide (CID 157416430) is N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?

The canonical SMILES for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide is C.CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)C1.Cc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)cccc2n1.Cc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3F)cccc2n1.[C-]#[N+]Cc1ccc(-c2cccc3nc(C)cn23)cc1.

What is the InChIKey of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?

The InChIKey is BOXAQDPMVQOWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C19H20FN3O2S.C19H21N3O2S.C16H13N3.CH4/c1-23(2)13-26(14-23)22(29)17-10-6-15(7-11-17)18-4-3-5-20-24-19(12-27(18)20)25-21(28)16-8-9-16;1-14-12-23-18(3-2-4-19(23)21-14)16-6-5-15(11-17(16)20)13-22-7-9-26(24,25)10-8-22;1-15-13-22-18(3-2-4-19(22)20-15)17-7-5-16(6-8-17)14-21-9-11-25(23,24)12-10-21;1-12-11-19-15(4-3-5-16(19)18-12)14-8-6-13(7-9-14)10-17-2;/h3-7,10-12,16H,8-9,13-14H2,1-2H3,(H,25,28);2-6,11-12H,7-10,13H2,1H3;2-8,13H,9-12,14H2,1H3;3-9,11H,10H2,1H3;1H4.

What are the key properties of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide?

N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 1380.73 g/mol, XLogP of 13.42, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;4-[[3-fluoro-4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide;5-[4-(isocyanomethyl)phenyl]-2-methylimidazo[1,2-a]pyridine;methane;4-[[4-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 157416430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).