cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane

C66H59F9N14O5 — CID 157398711

IUPACcyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane
SMILESC.CCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.NC1CC1.O=C(NC1CC1)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.O=C(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C22H18F3N5O.C21H17F3N4O2.C19H13F3N4O2.C3H7N.CH4/c23-15-4-1-13(2-5-15)20-21(29(12-27-20)11-18(24)25)14-3-8-19-26-9-17(30(19)10-14)22(31)28-16-6-7-16;1-2-30-21(29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24;20-13-4-1-11(2-5-13)17-18(25(10-24-17)9-15(21)22)12-3-6-16-23-7-14(19(27)28)26(16)8-12;4-3-1-2-3;/h1-5,8-10,12,16,18H,6-7,11H2,(H,28,31);3-10,12,17H,2,11H2,1H3;1-8,10,15H,9H2,(H,27,28);3H,1-2,4H2;1H4
InChIKeyBMWSUTZCVDYXGB-UHFFFAOYSA-N
MW1299.27 g/mol
LogP13.32
Rot. Bonds17

About cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane

cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane (PubChem CID 157398711) has the molecular formula C66H59F9N14O5 and a molecular weight of 1299.27 g/mol. Its IUPAC name is cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane.

Molecular Properties

Compound Namecyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane
PubChem CID157398711
Molecular FormulaC66H59F9N14O5
Molecular Weight1299.27 g/mol
Exact Mass1298.46
IUPAC Namecyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane
SMILESC.CCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.NC1CC1.O=C(NC1CC1)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.O=C(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12
InChIInChI=1S/C22H18F3N5O.C21H17F3N4O2.C19H13F3N4O2.C3H7N.CH4/c23-15-4-1-13(2-5-15)20-21(29(12-27-20)11-18(24)25)14-3-8-19-26-9-17(30(19)10-14)22(31)28-16-6-7-16;1-2-30-21(29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24;20-13-4-1-11(2-5-13)17-18(25(10-24-17)9-15(21)22)12-3-6-16-23-7-14(19(27)28)26(16)8-12;4-3-1-2-3;/h1-5,8-10,12,16,18H,6-7,11H2,(H,28,31);3-10,12,17H,2,11H2,1H3;1-8,10,15H,9H2,(H,27,28);3H,1-2,4H2;1H4
InChIKeyBMWSUTZCVDYXGB-UHFFFAOYSA-N
XLogP13.32
TPSA224.08 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001299.27
LogP ≤ 513.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane with MolForge

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Related Compounds

N-(2,2-difluoroethyl)-6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 122478588
7-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine
CID 157129590
8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 157210328
7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;ethyl 7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylate;ethyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;[4-(trifluoromethyl)phenyl]methanamine
CID 157389156
(7R)-7-[(2S)-butan-2-yl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-2-[6-(trifluoromethyl)-3-pyridinyl]-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-7-cyclopropyl-2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethyl-7,8-dihydroimidazo[2,1-b]purin-4-one;2-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[(3,4-difluorophenyl)methyl]-5-ethylspiro[8H-imidazo[2,1-b]purine-7,1'-cyclohexane]-4-one;(7R)-1-[(2,4-difluorophenyl)methyl]-5-ethyl-2-(4-methylphenyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;(7R)-1-[(3,4-difluorophenyl)methyl]-5-(2-methoxyethyl)-2-(4-phenylphenyl)-7-propan-2-yl-7,8-dihydroimidazo[2,1-b]purin-4-one;methane
CID 157697202
[8-Tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone;(2,2-dimethylpiperazin-1-yl)-[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]methanone;(2,2-dimethylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;methyl 8-tert-butyl-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
CID 157697778
tert-butyl 4-[[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carbonyl]amino]piperidine-1-carboxylate;ethyl 1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate;1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
CID 157726574
4-[6-(4-Fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 158445405
8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 158503217
N-[(6S,9R)-3-acetyl-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-formyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(methoxymethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoro-1-hydroxyethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoro-1-methoxyethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 159146916
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;N-[2-(dimethylamino)ethyl]-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide;ethyl 2-phenyl-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazole-4-carboxylate;[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-piperidin-1-ylmethanone
CID 159677470
tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 159809163

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane?
The IUPAC name of cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane (CID 157398711) is cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane.
What is the SMILES notation for cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane?
The canonical SMILES for cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane is C.CCOC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.NC1CC1.O=C(NC1CC1)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.O=C(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)cn12.
What is the InChIKey of cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane?
The InChIKey is BMWSUTZCVDYXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O.C21H17F3N4O2.C19H13F3N4O2.C3H7N.CH4/c23-15-4-1-13(2-5-15)20-21(29(12-27-20)11-18(24)25)14-3-8-19-26-9-17(30(19)10-14)22(31)28-16-6-7-16;1-2-30-21(29)16-9-25-18-8-5-14(10-28(16)18)20-19(13-3-6-15(22)7-4-13)26-12-27(20)11-17(23)24;20-13-4-1-11(2-5-13)17-18(25(10-24-17)9-15(21)22)12-3-6-16-23-7-14(19(27)28)26(16)8-12;4-3-1-2-3;/h1-5,8-10,12,16,18H,6-7,11H2,(H,28,31);3-10,12,17H,2,11H2,1H3;1-8,10,15H,9H2,(H,27,28);3H,1-2,4H2;1H4.
What are the key properties of cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane?
cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane has a molecular weight of 1299.27 g/mol, XLogP of 13.32, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;N-cyclopropyl-6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate;methane is sourced from PubChem (CID 157398711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).