azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate

C68H65Cl5F7N16O8P — CID 163951118

IUPACazane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate
SMILESCOC(=O)C(F)C(=O)OC.Cc1ccc(N)cc1.Cc1nc2ccccn2c1-c1cc(Cl)c(F)c(Cl)c1.Cc1nc2ccccn2c1-c1cc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)c1.Cc1nc2ccccn2c1-c1nc(O)c(F)c(=O)[nH]1.N.O.O=P(Cl)(Cl)Cl.[H]/N=C(\N)c1c(C)nc2ccccn12
InChIInChI=1S/C21H16F4N4.C14H9Cl2FN2.C12H9FN4O2.C9H10N4.C7H9N.C5H7FO4.Cl3OP.H3N.H2O/c1-12-20(29-9-3-2-4-18(29)27-12)13-10-16(26)19(22)17(11-13)28-15-7-5-14(6-8-15)21(23,24)25;1-8-14(19-5-3-2-4-12(19)18-8)9-6-10(15)13(17)11(16)7-9;1-6-9(17-5-3-2-4-7(17)14-6)10-15-11(18)8(13)12(19)16-10;1-6-8(9(10)11)13-5-3-2-4-7(13)12-6;1-6-2-4-7(8)5-3-6;1-9-4(7)3(6)5(8)10-2;1-5(2,3)4;;/h2-11,28H,26H2,1H3;2-7H,1H3;2-5H,1H3,(H2,15,16,18,19);2-5H,1H3,(H3,10,11);2-5H,8H2,1H3;3H,1-2H3;;1H3;1H2
InChIKeyADMYCMIUKYOTJQ-UHFFFAOYSA-N
MW1575.60 g/mol
LogP16.11
Rot. Bonds8

About azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate

azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate (PubChem CID 163951118) has the molecular formula C68H65Cl5F7N16O8P and a molecular weight of 1575.60 g/mol. Its IUPAC name is azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate.

Molecular Properties

Compound Nameazane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate
PubChem CID163951118
Molecular FormulaC68H65Cl5F7N16O8P
Molecular Weight1575.60 g/mol
Exact Mass1572.32
IUPAC Nameazane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate
SMILESCOC(=O)C(F)C(=O)OC.Cc1ccc(N)cc1.Cc1nc2ccccn2c1-c1cc(Cl)c(F)c(Cl)c1.Cc1nc2ccccn2c1-c1cc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)c1.Cc1nc2ccccn2c1-c1nc(O)c(F)c(=O)[nH]1.N.O.O=P(Cl)(Cl)Cl.[H]/N=C(\N)c1c(C)nc2ccccn12
InChIInChI=1S/C21H16F4N4.C14H9Cl2FN2.C12H9FN4O2.C9H10N4.C7H9N.C5H7FO4.Cl3OP.H3N.H2O/c1-12-20(29-9-3-2-4-18(29)27-12)13-10-16(26)19(22)17(11-13)28-15-7-5-14(6-8-15)21(23,24)25;1-8-14(19-5-3-2-4-12(19)18-8)9-6-10(15)13(17)11(16)7-9;1-6-9(17-5-3-2-4-7(17)14-6)10-15-11(18)8(13)12(19)16-10;1-6-8(9(10)11)13-5-3-2-4-7(13)12-6;1-6-2-4-7(8)5-3-6;1-9-4(7)3(6)5(8)10-2;1-5(2,3)4;;/h2-11,28H,26H2,1H3;2-7H,1H3;2-5H,1H3,(H2,15,16,18,19);2-5H,1H3,(H3,10,11);2-5H,8H2,1H3;3H,1-2H3;;1H3;1H2
InChIKeyADMYCMIUKYOTJQ-UHFFFAOYSA-N
XLogP16.11
TPSA385.29 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001575.60
LogP ≤ 516.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate with MolForge

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Related Compounds

tert-butyl N-[2-chloro-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;6-fluoro-2-methylimidazo[1,2-a]pyridine;6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;4-methylaniline
CID 158429729
azane;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;5-fluoro-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate
CID 158982357
5-chloro-4-(trifluoromethyl)pyridin-2-amine;1-N'-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-N-(4-imidazo[1,2-a]pyrazin-3-ylphenyl)cyclopropane-1,1-dicarboxamide;4-imidazo[1,2-a]pyrazin-3-ylaniline;methane;1-methoxycarbonylcyclopropane-1-carboxylic acid;methyl 1-[(4-imidazo[1,2-a]pyrazin-3-ylphenyl)carbamoyl]cyclopropane-1-carboxylate
CID 167564100
6-(4-chloropyrimidin-2-yl)-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine;8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide;2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one;methyl (E)-3-methoxyprop-2-enoate;phosphoryl trichloride
CID 157708704

Frequently Asked Questions

What is the IUPAC name of azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate?
The IUPAC name of azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate (CID 163951118) is azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate.
What is the SMILES notation for azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate?
The canonical SMILES for azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate is COC(=O)C(F)C(=O)OC.Cc1ccc(N)cc1.Cc1nc2ccccn2c1-c1cc(Cl)c(F)c(Cl)c1.Cc1nc2ccccn2c1-c1cc(N)c(F)c(Nc2ccc(C(F)(F)F)cc2)c1.Cc1nc2ccccn2c1-c1nc(O)c(F)c(=O)[nH]1.N.O.O=P(Cl)(Cl)Cl.[H]/N=C(\N)c1c(C)nc2ccccn12.
What is the InChIKey of azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate?
The InChIKey is ADMYCMIUKYOTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4.C14H9Cl2FN2.C12H9FN4O2.C9H10N4.C7H9N.C5H7FO4.Cl3OP.H3N.H2O/c1-12-20(29-9-3-2-4-18(29)27-12)13-10-16(26)19(22)17(11-13)28-15-7-5-14(6-8-15)21(23,24)25;1-8-14(19-5-3-2-4-12(19)18-8)9-6-10(15)13(17)11(16)7-9;1-6-9(17-5-3-2-4-7(17)14-6)10-15-11(18)8(13)12(19)16-10;1-6-8(9(10)11)13-5-3-2-4-7(13)12-6;1-6-2-4-7(8)5-3-6;1-9-4(7)3(6)5(8)10-2;1-5(2,3)4;;/h2-11,28H,26H2,1H3;2-7H,1H3;2-5H,1H3,(H2,15,16,18,19);2-5H,1H3,(H3,10,11);2-5H,8H2,1H3;3H,1-2H3;;1H3;1H2.
What are the key properties of azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate?
azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate has a molecular weight of 1575.60 g/mol, XLogP of 16.11, 8 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(3,5-dichloro-4-fluorophenyl)-2-methylimidazo[1,2-a]pyridine;dimethyl 2-fluoropropanedioate;5-fluoro-4-hydroxy-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;2-fluoro-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-3-N-[4-(trifluoromethyl)phenyl]benzene-1,3-diamine;4-methylaniline;2-methylimidazo[1,2-a]pyridine-3-carboximidamide;phosphoryl trichloride;hydrate is sourced from PubChem (CID 163951118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).