2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene

C89H77F4N17O7 — CID 161185526

IUPAC2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2-c2nnc(N)o2)nc2ccc(F)cn12.Cc1cccc(C)c1Nc1c(-c2ccccc2C(=O)NN)nc2ccc(F)cn12.Cc1cccc(C)c1Nc1c(-c2ccccc2C(=O)O)nc2ccc(F)cn12.Nc1ccc(F)cn1.O=Cc1ccccc1C(=O)O.[C-]#[N+]c1c(C)cccc1C
InChIInChI=1S/C23H19FN6O.C22H20FN5O.C22H18FN3O2.C9H9N.C8H6O3.C5H5FN2/c1-13-6-5-7-14(2)19(13)27-21-20(26-18-11-10-15(24)12-30(18)21)16-8-3-4-9-17(16)22-28-29-23(25)31-22;1-13-6-5-7-14(2)19(13)26-21-20(25-18-11-10-15(23)12-28(18)21)16-8-3-4-9-17(16)22(29)27-24;1-13-6-5-7-14(2)19(13)25-21-20(16-8-3-4-9-17(16)22(27)28)24-18-11-10-15(23)12-26(18)21;1-7-5-4-6-8(2)9(7)10-3;9-5-6-3-1-2-4-7(6)8(10)11;6-4-1-2-5(7)8-3-4/h3-12,27H,1-2H3,(H2,25,29);3-12,26H,24H2,1-2H3,(H,27,29);3-12,25H,1-2H3,(H,27,28);4-6H,1-2H3;1-5H,(H,10,11);1-3H,(H2,7,8)
InChIKeyUTANEDAIGJXUEV-UHFFFAOYSA-N
MW1572.70 g/mol
LogP19.29
Rot. Bonds14

About 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene

2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene (PubChem CID 161185526) has the molecular formula C89H77F4N17O7 and a molecular weight of 1572.70 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene
PubChem CID161185526
Molecular FormulaC89H77F4N17O7
Molecular Weight1572.70 g/mol
Exact Mass1571.61
IUPAC Name2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2-c2nnc(N)o2)nc2ccc(F)cn12.Cc1cccc(C)c1Nc1c(-c2ccccc2C(=O)NN)nc2ccc(F)cn12.Cc1cccc(C)c1Nc1c(-c2ccccc2C(=O)O)nc2ccc(F)cn12.Nc1ccc(F)cn1.O=Cc1ccccc1C(=O)O.[C-]#[N+]c1c(C)cccc1C
InChIInChI=1S/C23H19FN6O.C22H20FN5O.C22H18FN3O2.C9H9N.C8H6O3.C5H5FN2/c1-13-6-5-7-14(2)19(13)27-21-20(26-18-11-10-15(24)12-30(18)21)16-8-3-4-9-17(16)22-28-29-23(25)31-22;1-13-6-5-7-14(2)19(13)26-21-20(25-18-11-10-15(23)12-28(18)21)16-8-3-4-9-17(16)22(29)27-24;1-13-6-5-7-14(2)19(13)25-21-20(16-8-3-4-9-17(16)22(27)28)24-18-11-10-15(23)12-26(18)21;1-7-5-4-6-8(2)9(7)10-3;9-5-6-3-1-2-4-7(6)8(10)11;6-4-1-2-5(7)8-3-4/h3-12,27H,1-2H3,(H2,25,29);3-12,26H,24H2,1-2H3,(H,27,29);3-12,25H,1-2H3,(H,27,28);4-6H,1-2H3;1-5H,(H,10,11);1-3H,(H2,7,8)
InChIKeyUTANEDAIGJXUEV-UHFFFAOYSA-N
XLogP19.29
TPSA342.99 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001572.70
LogP ≤ 519.29
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene with MolForge

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Related Compounds

2-[5-(2-Aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzohydrazide;5-[2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;carbononitridic bromide;hydrazine;methyl 2-[5-(2-aminopyrimidin-5-yl)-1-tert-butylbenzimidazol-2-yl]benzoate
CID 157480830
CID 157916298
CID 157916298
3-fluoro-2-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid;6-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;3-methyl-2-[3-oxo-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-4-carboxylic acid;6-(3-oxo-1H-2-benzofuran-5-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 157961466
CID 158424358
CID 158424358
CID 158657952
CID 158657952
CID 158783900
CID 158783900
1-amino-3-methylthiourea;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;1-[[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoyl]amino]-3-methylthiourea;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-N-methyl-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene
CID 161167447

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene?
The IUPAC name of 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene (CID 161185526) is 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene.
What is the SMILES notation for 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene?
The canonical SMILES for 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene is Cc1cccc(C)c1Nc1c(-c2ccccc2-c2nnc(N)o2)nc2ccc(F)cn12.Cc1cccc(C)c1Nc1c(-c2ccccc2C(=O)NN)nc2ccc(F)cn12.Cc1cccc(C)c1Nc1c(-c2ccccc2C(=O)O)nc2ccc(F)cn12.Nc1ccc(F)cn1.O=Cc1ccccc1C(=O)O.[C-]#[N+]c1c(C)cccc1C.
What is the InChIKey of 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene?
The InChIKey is UTANEDAIGJXUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O.C22H20FN5O.C22H18FN3O2.C9H9N.C8H6O3.C5H5FN2/c1-13-6-5-7-14(2)19(13)27-21-20(26-18-11-10-15(24)12-30(18)21)16-8-3-4-9-17(16)22-28-29-23(25)31-22;1-13-6-5-7-14(2)19(13)26-21-20(25-18-11-10-15(23)12-28(18)21)16-8-3-4-9-17(16)22(29)27-24;1-13-6-5-7-14(2)19(13)25-21-20(16-8-3-4-9-17(16)22(27)28)24-18-11-10-15(23)12-26(18)21;1-7-5-4-6-8(2)9(7)10-3;9-5-6-3-1-2-4-7(6)8(10)11;6-4-1-2-5(7)8-3-4/h3-12,27H,1-2H3,(H2,25,29);3-12,26H,24H2,1-2H3,(H,27,29);3-12,25H,1-2H3,(H,27,28);4-6H,1-2H3;1-5H,(H,10,11);1-3H,(H2,7,8).
What are the key properties of 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene?
2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene has a molecular weight of 1572.70 g/mol, XLogP of 19.29, 14 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzohydrazide;2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]benzoic acid;5-[2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-1,3,4-oxadiazol-2-amine;5-fluoropyridin-2-amine;2-formylbenzoic acid;2-isocyano-1,3-dimethylbenzene is sourced from PubChem (CID 161185526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).