2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone

C59H59F7N10O5 — CID 161187169

IUPAC2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESC.Nc1ccc(-c2ccc(F)cc2F)nc1CC(=O)N1CCC(Cc2cccnc2)C1.O=C(Cc1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-])N1CCC(Cc2cccnc2)C1.O=C(N1CCC(Cc2cccnc2)C1)C(F)(F)F
InChIInChI=1S/C23H20F2N4O3.C23H22F2N4O.C12H13F3N2O.CH4/c24-17-3-4-18(19(25)11-17)20-5-6-22(29(31)32)21(27-20)12-23(30)28-9-7-16(14-28)10-15-2-1-8-26-13-15;24-17-3-4-18(19(25)11-17)21-6-5-20(26)22(28-21)12-23(30)29-9-7-16(14-29)10-15-2-1-8-27-13-15;13-12(14,15)11(18)17-5-3-10(8-17)6-9-2-1-4-16-7-9;/h1-6,8,11,13,16H,7,9-10,12,14H2;1-6,8,11,13,16H,7,9-10,12,14,26H2;1-2,4,7,10H,3,5-6,8H2;1H4
InChIKeyUTFRQMKDBVFGCV-UHFFFAOYSA-N
MW1121.17 g/mol
LogP10.27
Rot. Bonds13

About 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone

2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 161187169) has the molecular formula C59H59F7N10O5 and a molecular weight of 1121.17 g/mol. Its IUPAC name is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID161187169
Molecular FormulaC59H59F7N10O5
Molecular Weight1121.17 g/mol
Exact Mass1120.46
IUPAC Name2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESC.Nc1ccc(-c2ccc(F)cc2F)nc1CC(=O)N1CCC(Cc2cccnc2)C1.O=C(Cc1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-])N1CCC(Cc2cccnc2)C1.O=C(N1CCC(Cc2cccnc2)C1)C(F)(F)F
InChIInChI=1S/C23H20F2N4O3.C23H22F2N4O.C12H13F3N2O.CH4/c24-17-3-4-18(19(25)11-17)20-5-6-22(29(31)32)21(27-20)12-23(30)28-9-7-16(14-28)10-15-2-1-8-26-13-15;24-17-3-4-18(19(25)11-17)21-6-5-20(26)22(28-21)12-23(30)29-9-7-16(14-29)10-15-2-1-8-27-13-15;13-12(14,15)11(18)17-5-3-10(8-17)6-9-2-1-4-16-7-9;/h1-6,8,11,13,16H,7,9-10,12,14H2;1-6,8,11,13,16H,7,9-10,12,14,26H2;1-2,4,7,10H,3,5-6,8H2;1H4
InChIKeyUTFRQMKDBVFGCV-UHFFFAOYSA-N
XLogP10.27
TPSA194.54 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.17
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);tris(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one)
CID 161397768
N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]acetamide;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,2,2-trifluoroethanone
CID 167604774
2-[6-(2,4-Difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 161187171
2-(3-Amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-[6-(difluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone;2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
CID 157107053
2-[3-Amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
CID 157316495
2-[3-Amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)ethanone;6-(4-fluorophenyl)-3-nitropyridin-2-amine;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-imidazol-1-ylethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(3-pyrimidin-2-yl-2,5-dihydropyrrol-1-yl)ethanone
CID 157799273
2-(3-Amino-6-pyridin-3-yl-2-pyridinyl)-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone;1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone
CID 158678828
Bis(2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone);2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
CID 158774629
2-(2,6-Difluorophenyl)-4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-piperazin-1-yl-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 159484324
Bis(2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)pyrrolidin-1-yl]ethanone);2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(5-fluoropyrimidin-2-yl)-2,5-dihydropyrrol-1-yl]ethanone
CID 159827013
N-[(1S)-2-[4-[(2S,3R)-4-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-4-oxo-3-(propanoylamino)butan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide;4-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-oxo-3-(propanoylamino)-4-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 159996395
2-[3-Amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-2-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-3-ylpyrrolidin-1-yl)ethanone;2-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-1-(3-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 160943541

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone (CID 161187169) is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone is C.Nc1ccc(-c2ccc(F)cc2F)nc1CC(=O)N1CCC(Cc2cccnc2)C1.O=C(Cc1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-])N1CCC(Cc2cccnc2)C1.O=C(N1CCC(Cc2cccnc2)C1)C(F)(F)F.
What is the InChIKey of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is UTFRQMKDBVFGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O3.C23H22F2N4O.C12H13F3N2O.CH4/c24-17-3-4-18(19(25)11-17)20-5-6-22(29(31)32)21(27-20)12-23(30)28-9-7-16(14-28)10-15-2-1-8-26-13-15;24-17-3-4-18(19(25)11-17)21-6-5-20(26)22(28-21)12-23(30)29-9-7-16(14-29)10-15-2-1-8-27-13-15;13-12(14,15)11(18)17-5-3-10(8-17)6-9-2-1-4-16-7-9;/h1-6,8,11,13,16H,7,9-10,12,14H2;1-6,8,11,13,16H,7,9-10,12,14,26H2;1-2,4,7,10H,3,5-6,8H2;1H4.
What are the key properties of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone?
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 1121.17 g/mol, XLogP of 10.27, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone;methane;2,2,2-trifluoro-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 161187169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).