N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C85H82F4N16O11S3 — CID 162253330

About N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 162253330) has the molecular formula C85H82F4N16O11S3 and a molecular weight of 1675.88 g/mol. Its IUPAC name is N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 162253330
• Molecular Formula: C85H82F4N16O11S3
• Molecular Weight: 1675.88 g/mol
• Exact Mass: 1674.54
• IUPAC Name: N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1cn2c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)cccc2n1)C1CC1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c(F)ccc2n1)C1CC1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3F)cccc2n1)C1CC1.[C-]#[N+]Cc1ccc(-c2c(F)ccc3nc(NC(=O)C4CC4)cn23)c(F)c1
• InChI: InChI=1S/2C22H23FN4O3S.C22H22N4O4S.C19H14F2N4O/c23-18-7-8-20-24-19(25-22(28)17-5-6-17)14-27(20)21(18)16-3-1-15(2-4-16)13-26-9-11-31(29,30)12-10-26;23-18-12-15(13-26-8-10-31(29,30)11-9-26)4-7-17(18)19-2-1-3-21-24-20(14-27(19)21)25-22(28)16-5-6-16;27-21(16-6-7-16)24-19-14-26-18(2-1-3-20(26)23-19)15-4-8-17(9-5-15)22(28)25-10-12-31(29,30)13-11-25;1-22-9-11-2-5-13(15(21)8-11)18-14(20)6-7-17-23-16(10-25(17)18)24-19(26)12-3-4-12/h1-4,7-8,14,17H,5-6,9-13H2,(H,25,28);1-4,7,12,14,16H,5-6,8-11,13H2,(H,25,28);1-5,8-9,14,16H,6-7,10-13H2,(H,24,27);2,5-8,10,12H,3-4,9H2,(H,24,26)
• InChIKey: ZYGRZLQXKYKLHS-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 319.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1675.88
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 162253330) is N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1cn2c(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)cccc2n1)C1CC1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c(F)ccc2n1)C1CC1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)cc3F)cccc2n1)C1CC1.[C-]#[N+]Cc1ccc(-c2c(F)ccc3nc(NC(=O)C4CC4)cn23)c(F)c1.

What is the InChIKey of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is ZYGRZLQXKYKLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23FN4O3S.C22H22N4O4S.C19H14F2N4O/c23-18-7-8-20-24-19(25-22(28)17-5-6-17)14-27(20)21(18)16-3-1-15(2-4-16)13-26-9-11-31(29,30)12-10-26;23-18-12-15(13-26-8-10-31(29,30)11-9-26)4-7-17(18)19-2-1-3-21-24-20(14-27(19)21)25-22(28)16-5-6-16;27-21(16-6-7-16)24-19-14-26-18(2-1-3-20(26)23-19)15-4-8-17(9-5-15)22(28)25-10-12-31(29,30)13-11-25;1-22-9-11-2-5-13(15(21)8-11)18-14(20)6-7-17-23-16(10-25(17)18)24-19(26)12-3-4-12/h1-4,7-8,14,17H,5-6,9-13H2,(H,25,28);1-4,7,12,14,16H,5-6,8-11,13H2,(H,25,28);1-5,8-9,14,16H,6-7,10-13H2,(H,24,27);2,5-8,10,12H,3-4,9H2,(H,24,26).

What are the key properties of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 1675.88 g/mol, XLogP of 11.71, 18 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[6-fluoro-5-[2-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162253330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).