2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine

C59H59F10N9O5 — CID 167568237

IUPAC2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine
SMILESCCc1nc2cc(F)ccn2c1C(=O)CCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)c(F)c1.CCc1nc2cc(F)ccn2c1C(=O)O.C[C@H]1CN(c2ccc(CN)cc2F)CCN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C30H29F5N4O2.C19H21F4N3O.C10H9FN2O2/c1-3-25-29(39-13-12-21(31)17-28(39)36-25)27(40)11-5-20-4-10-26(24(32)16-20)37-14-15-38(19(2)18-37)22-6-8-23(9-7-22)41-30(33,34)35;1-13-12-25(18-7-2-14(11-24)10-17(18)20)8-9-26(13)15-3-5-16(6-4-15)27-19(21,22)23;1-2-7-9(10(14)15)13-4-3-6(11)5-8(13)12-7/h4,6-10,12-13,16-17,19H,3,5,11,14-15,18H2,1-2H3;2-7,10,13H,8-9,11-12,24H2,1H3;3-5H,2H2,1H3,(H,14,15)/t19-;13-;/m00./s1
InChIKeyFOGHNKBTRREUOE-OVNKVOPASA-N
MW1164.16 g/mol
LogP12.24
Rot. Bonds14

About 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine

2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine (PubChem CID 167568237) has the molecular formula C59H59F10N9O5 and a molecular weight of 1164.16 g/mol. Its IUPAC name is 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine
PubChem CID167568237
Molecular FormulaC59H59F10N9O5
Molecular Weight1164.16 g/mol
Exact Mass1163.45
IUPAC Name2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine
SMILESCCc1nc2cc(F)ccn2c1C(=O)CCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)c(F)c1.CCc1nc2cc(F)ccn2c1C(=O)O.C[C@H]1CN(c2ccc(CN)cc2F)CCN1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C30H29F5N4O2.C19H21F4N3O.C10H9FN2O2/c1-3-25-29(39-13-12-21(31)17-28(39)36-25)27(40)11-5-20-4-10-26(24(32)16-20)37-14-15-38(19(2)18-37)22-6-8-23(9-7-22)41-30(33,34)35;1-13-12-25(18-7-2-14(11-24)10-17(18)20)8-9-26(13)15-3-5-16(6-4-15)27-19(21,22)23;1-2-7-9(10(14)15)13-4-3-6(11)5-8(13)12-7/h4,6-10,12-13,16-17,19H,3,5,11,14-15,18H2,1-2H3;2-7,10,13H,8-9,11-12,24H2,1H3;3-5H,2H2,1H3,(H,14,15)/t19-;13-;/m00./s1
InChIKeyFOGHNKBTRREUOE-OVNKVOPASA-N
XLogP12.24
TPSA146.41 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001164.16
LogP ≤ 512.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine with MolForge

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Related Compounds

N-[[4-[(3S)-3-butyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-fluoro-phenyl]methyl]-2-ethyl-7-fluoro-imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201878
6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 118094720
N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 157304684
6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
CID 157545786
4-[6-(2,3-Difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;methyl 4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 157900638
2-Ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]propan-1-one;[2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]quinolin-6-yl]methanamine
CID 158125968
2-Ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]phenyl]methanamine
CID 158296906
4-Amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one;4-amino-1-[2,6-dimethyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-7,7,7-trifluoro-4-methylheptan-1-one
CID 158401565
Chloromethane;2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158415321
6-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;4-iodobenzonitrile;6-(4-isocyanophenyl)-2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;methane;phosphane;2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine;hydrate
CID 158449813
2-Ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]propan-1-one;methane;[4-[2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]methanamine
CID 158555400
bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
CID 158947957

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine?
The IUPAC name of 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine (CID 167568237) is 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine.
What is the SMILES notation for 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine?
The canonical SMILES for 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine is CCc1nc2cc(F)ccn2c1C(=O)CCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)c(F)c1.CCc1nc2cc(F)ccn2c1C(=O)O.C[C@H]1CN(c2ccc(CN)cc2F)CCN1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine?
The InChIKey is FOGHNKBTRREUOE-OVNKVOPASA-N. The full InChI is InChI=1S/C30H29F5N4O2.C19H21F4N3O.C10H9FN2O2/c1-3-25-29(39-13-12-21(31)17-28(39)36-25)27(40)11-5-20-4-10-26(24(32)16-20)37-14-15-38(19(2)18-37)22-6-8-23(9-7-22)41-30(33,34)35;1-13-12-25(18-7-2-14(11-24)10-17(18)20)8-9-26(13)15-3-5-16(6-4-15)27-19(21,22)23;1-2-7-9(10(14)15)13-4-3-6(11)5-8(13)12-7/h4,6-10,12-13,16-17,19H,3,5,11,14-15,18H2,1-2H3;2-7,10,13H,8-9,11-12,24H2,1H3;3-5H,2H2,1H3,(H,14,15)/t19-;13-;/m00./s1.
What are the key properties of 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine?
2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine has a molecular weight of 1164.16 g/mol, XLogP of 12.24, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;1-(2-ethyl-7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]propan-1-one;[3-fluoro-4-[(3S)-3-methyl-4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methanamine is sourced from PubChem (CID 167568237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).