[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone

C125H125F3N22O11 — CID 167626177

IUPAC[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
SMILESC.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3ccccc23)nc1.Cc1ccc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.Cc1ccc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3c2COCC3)nc1.O=C(c1c(-c2ccccc2)nn2ccccc12)N1CCC[C@H]1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C25H21F3N4O2.2C25H25N5O2.C25H24N4O2.C24H26N4O3.CH4/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-13-31(19)24(33)22-20-10-4-5-14-32(20)30-23(22)17-7-2-1-3-8-17;1-2-18-15-26-25(27-16-18)32-17-20-11-8-13-29(20)24(31)22-21-12-6-7-14-30(21)28-23(22)19-9-4-3-5-10-19;1-2-18-15-26-25(27-16-18)32-17-20-11-8-14-29(20)24(31)23-22(19-9-4-3-5-10-19)28-21-12-6-7-13-30(21)23;1-18-12-13-22(26-16-18)31-17-20-10-7-15-28(20)25(30)24-23(19-8-3-2-4-9-19)27-21-11-5-6-14-29(21)24;1-17-9-10-21(25-14-17)31-15-19-8-5-11-27(19)24(29)22-20-16-30-13-12-28(20)26-23(22)18-6-3-2-4-7-18;/h1-5,7-8,10-12,14-15,19H,6,9,13,16H2;3-7,9-10,12,14-16,20H,2,8,11,13,17H2,1H3;3-7,9-10,12-13,15-16,20H,2,8,11,14,17H2,1H3;2-6,8-9,11-14,16,20H,7,10,15,17H2,1H3;2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3;1H4/t19-;3*20-;19-;/m00000./s1
InChIKeyNDEKVOVIJCILJH-VVLFYGEHSA-N
MW2168.51 g/mol
LogP21.67
Rot. Bonds27

About [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone

[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone (PubChem CID 167626177) has the molecular formula C125H125F3N22O11 and a molecular weight of 2168.51 g/mol. Its IUPAC name is [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
PubChem CID167626177
Molecular FormulaC125H125F3N22O11
Molecular Weight2168.51 g/mol
Exact Mass2166.99
IUPAC Name[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
SMILESC.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3ccccc23)nc1.Cc1ccc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.Cc1ccc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3c2COCC3)nc1.O=C(c1c(-c2ccccc2)nn2ccccc12)N1CCC[C@H]1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C25H21F3N4O2.2C25H25N5O2.C25H24N4O2.C24H26N4O3.CH4/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-13-31(19)24(33)22-20-10-4-5-14-32(20)30-23(22)17-7-2-1-3-8-17;1-2-18-15-26-25(27-16-18)32-17-20-11-8-13-29(20)24(31)22-21-12-6-7-14-30(21)28-23(22)19-9-4-3-5-10-19;1-2-18-15-26-25(27-16-18)32-17-20-11-8-14-29(20)24(31)23-22(19-9-4-3-5-10-19)28-21-12-6-7-13-30(21)23;1-18-12-13-22(26-16-18)31-17-20-10-7-15-28(20)25(30)24-23(19-8-3-2-4-9-19)27-21-11-5-6-14-29(21)24;1-17-9-10-21(25-14-17)31-15-19-8-5-11-27(19)24(29)22-20-16-30-13-12-28(20)26-23(22)18-6-3-2-4-7-18;/h1-5,7-8,10-12,14-15,19H,6,9,13,16H2;3-7,9-10,12,14-16,20H,2,8,11,13,17H2,1H3;3-7,9-10,12-13,15-16,20H,2,8,11,14,17H2,1H3;2-6,8-9,11-14,16,20H,7,10,15,17H2,1H3;2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3;1H4/t19-;3*20-;19-;/m00000./s1
InChIKeyNDEKVOVIJCILJH-VVLFYGEHSA-N
XLogP21.67
TPSA334.18 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002168.51
LogP ≤ 521.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

6-[(1R)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-[1-[3-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-[5-oxo-3-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-6-yl]propyl]pyrazol-4-yl]-1,6-naphthyridin-5-one
CID 129157542
2-[4-[1-[6-[7-[4-[1-(2-methoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-2-propan-2-yl-3-pyridinyl]-3-[[5-[3-methyl-7-[4-(triazol-2-yl)phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-6-propan-2-yl-2-pyridinyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]phenyl]-5-methyl-1,3-oxazole
CID 153629252
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide
CID 157065681
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157134788
3-(cyclopropylmethyl)-8-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;[1-(cyclopropylmethyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-5-yl]-[4-(2,4-difluorophenyl)piperazin-1-yl]methanone;2-[[4-[2-(2-fluoroethoxy)-4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[(1R,5S)-6-[[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine;2-[[4-[3-methoxy-5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]methyl]-1,3,5-triazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 157176874
(3-Ethoxy-6-methyl-2-pyridinyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxy-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-(triazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157197432
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
(4,4-difluoropiperidin-1-yl)-[6-(2-methyl-1-benzofuran-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;(4-fluoropiperidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 157242209
1-[4-(4,6-Dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157243843
7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157288069
2,2-dimethylpropyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate;1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidine-2-carboxamide;3-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;phenyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 157288169

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone (CID 167626177) is [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone is C.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.CCc1cnc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3ccccc23)nc1.Cc1ccc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.Cc1ccc(OC[C@@H]2CCCN2C(=O)c2c(-c3ccccc3)nn3c2COCC3)nc1.O=C(c1c(-c2ccccc2)nn2ccccc12)N1CCC[C@H]1COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone?
The InChIKey is NDEKVOVIJCILJH-VVLFYGEHSA-N. The full InChI is InChI=1S/C25H21F3N4O2.2C25H25N5O2.C25H24N4O2.C24H26N4O3.CH4/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-13-31(19)24(33)22-20-10-4-5-14-32(20)30-23(22)17-7-2-1-3-8-17;1-2-18-15-26-25(27-16-18)32-17-20-11-8-13-29(20)24(31)22-21-12-6-7-14-30(21)28-23(22)19-9-4-3-5-10-19;1-2-18-15-26-25(27-16-18)32-17-20-11-8-14-29(20)24(31)23-22(19-9-4-3-5-10-19)28-21-12-6-7-13-30(21)23;1-18-12-13-22(26-16-18)31-17-20-10-7-15-28(20)25(30)24-23(19-8-3-2-4-9-19)27-21-11-5-6-14-29(21)24;1-17-9-10-21(25-14-17)31-15-19-8-5-11-27(19)24(29)22-20-16-30-13-12-28(20)26-23(22)18-6-3-2-4-7-18;/h1-5,7-8,10-12,14-15,19H,6,9,13,16H2;3-7,9-10,12,14-16,20H,2,8,11,13,17H2,1H3;3-7,9-10,12-13,15-16,20H,2,8,11,14,17H2,1H3;2-6,8-9,11-14,16,20H,7,10,15,17H2,1H3;2-4,6-7,9-10,14,19H,5,8,11-13,15-16H2,1H3;1H4/t19-;3*20-;19-;/m00000./s1.
What are the key properties of [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone?
[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone has a molecular weight of 2168.51 g/mol, XLogP of 21.67, 27 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167626177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).