N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
C109H105F3N20O7 — CID 159122257
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)c(F)c2)C1.CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2F)C1.CC1(C)CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)C1.[C-]#[N+]C1(c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)CC1.[C-]#[N+]Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1F
InChIInChI=1S/2C23H23FN4O2.C23H26N4O.C21H18N4O.C19H15FN4O/c1-23(2)12-27(13-23)22(30)15-8-9-16(17(24)10-15)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14;1-23(2)12-27(13-23)22(30)16-9-8-15(10-17(16)24)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14;1-23(2)14-26(15-23)12-16-6-8-17(9-7-16)19-4-3-5-21-24-20(13-27(19)21)25-22(28)18-10-11-18;1-22-21(11-12-21)16-9-7-14(8-10-16)17-3-2-4-19-23-18(13-25(17)19)24-20(26)15-5-6-15;1-21-10-14-8-7-13(9-15(14)20)16-3-2-4-18-22-17(11-24(16)18)23-19(25)12-5-6-12/h2*3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,26,29);3-9,13,18H,10-12,14-15H2,1-2H3,(H,25,28);2-4,7-10,13,15H,5-6,11-12H2,(H,24,26);2-4,7-9,11-12H,5-6,10H2,(H,23,25)
InChIKeyKFVMSHVHHNTTNJ-UHFFFAOYSA-N
MW1864.17 g/mol
LogP20.30
Rot. Bonds21
About N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 159122257) has the molecular formula C109H105F3N20O7 and a molecular weight of 1864.17 g/mol. Its IUPAC name is N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
Molecular Properties
| Compound Name | N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide |
|---|---|
| PubChem CID | 159122257 |
| Molecular Formula | C109H105F3N20O7 |
| Molecular Weight | 1864.17 g/mol |
| Exact Mass | 1862.84 |
| IUPAC Name | N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide |
| SMILES | CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)c(F)c2)C1.CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2F)C1.CC1(C)CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)C1.[C-]#[N+]C1(c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)CC1.[C-]#[N+]Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1F |
| InChI | InChI=1S/2C23H23FN4O2.C23H26N4O.C21H18N4O.C19H15FN4O/c1-23(2)12-27(13-23)22(30)15-8-9-16(17(24)10-15)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14;1-23(2)12-27(13-23)22(30)16-9-8-15(10-17(16)24)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14;1-23(2)14-26(15-23)12-16-6-8-17(9-7-16)19-4-3-5-21-24-20(13-27(19)21)25-22(28)18-10-11-18;1-22-21(11-12-21)16-9-7-14(8-10-16)17-3-2-4-19-23-18(13-25(17)19)24-20(26)15-5-6-15;1-21-10-14-8-7-13(9-15(14)20)16-3-2-4-18-22-17(11-24(16)18)23-19(25)12-5-6-12/h2*3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,26,29);3-9,13,18H,10-12,14-15H2,1-2H3,(H,25,28);2-4,7-10,13,15H,5-6,11-12H2,(H,24,26);2-4,7-9,11-12H,5-6,10H2,(H,23,25) |
| InChIKey | KFVMSHVHHNTTNJ-UHFFFAOYSA-N |
| XLogP | 20.30 |
| TPSA | 284.58 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 139 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1864.17 |
| LogP ≤ 5 | 20.30 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 18 |
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)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 159122257) is N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)c(F)c2)C1.CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2F)C1.CC1(C)CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)C1.[C-]#[N+]C1(c2ccc(-c3cccc4nc(NC(=O)C5CC5)cn34)cc2)CC1.[C-]#[N+]Cc1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1F.
What is the InChIKey of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is KFVMSHVHHNTTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23FN4O2.C23H26N4O.C21H18N4O.C19H15FN4O/c1-23(2)12-27(13-23)22(30)15-8-9-16(17(24)10-15)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14;1-23(2)12-27(13-23)22(30)16-9-8-15(10-17(16)24)18-4-3-5-20-25-19(11-28(18)20)26-21(29)14-6-7-14;1-23(2)14-26(15-23)12-16-6-8-17(9-7-16)19-4-3-5-21-24-20(13-27(19)21)25-22(28)18-10-11-18;1-22-21(11-12-21)16-9-7-14(8-10-16)17-3-2-4-19-23-18(13-25(17)19)24-20(26)15-5-6-15;1-21-10-14-8-7-13(9-15(14)20)16-3-2-4-18-22-17(11-24(16)18)23-19(25)12-5-6-12/h2*3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,26,29);3-9,13,18H,10-12,14-15H2,1-2H3,(H,25,28);2-4,7-10,13,15H,5-6,11-12H2,(H,24,26);2-4,7-9,11-12H,5-6,10H2,(H,23,25).
What are the key properties of N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 1864.17 g/mol, XLogP of 20.30, 21 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(3,3-dimethylazetidine-1-carbonyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-fluoro-4-(isocyanomethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanocyclopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159122257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159122257 — identifiers, structure, computed properties (public domain)
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