3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane

C83H81F12N27O4 — CID 161362364

IUPAC3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(=O)N1[C@H](C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCCC5(CNC5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCOC5(CNC5)C4)n3)n2c1.O=C(c1cnn(CCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1=CCN=C1
InChIInChI=1S/C26H24F3N9O2.C20H21F3N6O.C19H19F3N6.C18H17F3N6O/c27-26(28,29)19-1-2-22-32-13-20(38(22)15-19)24-31-6-4-23(34-24)35-7-8-37(21(16-35)17-3-5-30-11-17)25(40)18-12-33-36(14-18)9-10-39;1-12-9-27(10-13(2)29(12)14(3)30)18-6-7-24-19(26-18)16-8-25-17-5-4-15(11-28(16)17)20(21,22)23;20-19(21,22)13-2-3-15-25-8-14(28(15)9-13)17-24-6-4-16(26-17)27-7-1-5-18(12-27)10-23-11-18;19-18(20,21)12-1-2-14-24-7-13(27(14)8-12)16-23-4-3-15(25-16)26-5-6-28-17(11-26)9-22-10-17/h1-4,6,11-15,21,39H,5,7-10,16H2;4-8,11-13H,9-10H2,1-3H3;2-4,6,8-9,23H,1,5,7,10-12H2;1-4,7-8,22H,5-6,9-11H2/t;12-,13+;;
InChIKeyVPIUIKHXNJJMPG-WUEZERDGSA-N
MW1748.72 g/mol
LogP10.58
Rot. Bonds12

About 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane

3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 161362364) has the molecular formula C83H81F12N27O4 and a molecular weight of 1748.72 g/mol. Its IUPAC name is 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID161362364
Molecular FormulaC83H81F12N27O4
Molecular Weight1748.72 g/mol
Exact Mass1747.68
IUPAC Name3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCC(=O)N1[C@H](C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCCC5(CNC5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCOC5(CNC5)C4)n3)n2c1.O=C(c1cnn(CCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1=CCN=C1
InChIInChI=1S/C26H24F3N9O2.C20H21F3N6O.C19H19F3N6.C18H17F3N6O/c27-26(28,29)19-1-2-22-32-13-20(38(22)15-19)24-31-6-4-23(34-24)35-7-8-37(21(16-35)17-3-5-30-11-17)25(40)18-12-33-36(14-18)9-10-39;1-12-9-27(10-13(2)29(12)14(3)30)18-6-7-24-19(26-18)16-8-25-17-5-4-15(11-28(16)17)20(21,22)23;20-19(21,22)13-2-3-15-25-8-14(28(15)9-13)17-24-6-4-16(26-17)27-7-1-5-18(12-27)10-23-11-18;19-18(20,21)12-1-2-14-24-7-13(27(14)8-12)16-23-4-3-15(25-16)26-5-6-28-17(11-26)9-22-10-17/h1-4,6,11-15,21,39H,5,7-10,16H2;4-8,11-13H,9-10H2,1-3H3;2-4,6,8-9,23H,1,5,7,10-12H2;1-4,7-8,22H,5-6,9-11H2/t;12-,13+;;
InChIKeyVPIUIKHXNJJMPG-WUEZERDGSA-N
XLogP10.58
TPSA309.60 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.72
LogP ≤ 510.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(Oxetan-3-yl)pyrazol-4-yl]-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922333
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
[1-(oxetan-3-yl)pyrazol-4-yl]-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 139344827
tert-butyl 9,9-dimethyl-8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1-cyclopropylpiperazine-2-carboxamide;(1-propan-2-ylpyrazol-4-yl)-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;[3-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]cyclobutyl]methanol
CID 157957905
(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 158116506
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 158244579
3-(3,5-dimethylpyrazol-1-yl)-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-hydroxy-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;3-imidazol-1-yl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 158403413
2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158684303
3-[4-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(4-acetylpiperazin-1-yl)-6-methylpyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]imidazo[1,2-a]pyrazine-6-carboxamide;3-[4-[3-methyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(1H-pyrazol-4-yl)-4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]morpholine
CID 159140636
1-[(2R)-2-hydroxypropyl]-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;5-(4-morpholin-4-yl-7-prop-1-en-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrimidin-2-amine;1-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine;5-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 159365484
2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;1-[4-[4-tert-butyl-6-(cyclobutylamino)-2-pyridinyl]piperazin-1-yl]ethanone;4-tert-butyl-5-methyl-2-[(1-methylazetidin-3-yl)methyl]pyridine;4-tert-butyl-5-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;6-tert-butyl-2-methyl-N-(oxetan-3-yl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;6-tert-butyl-N-(oxetan-3-yl)-2-(trifluoromethyl)pyrimidin-4-amine;1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 159657688
2-amino-N-[4-[4-(3-cyanoazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(3-methoxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159948364

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane (CID 161362364) is 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane is CC(=O)N1[C@H](C)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H]1C.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCCC5(CNC5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCOC5(CNC5)C4)n3)n2c1.O=C(c1cnn(CCO)c1)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1C1=CCN=C1.
What is the InChIKey of 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is VPIUIKHXNJJMPG-WUEZERDGSA-N. The full InChI is InChI=1S/C26H24F3N9O2.C20H21F3N6O.C19H19F3N6.C18H17F3N6O/c27-26(28,29)19-1-2-22-32-13-20(38(22)15-19)24-31-6-4-23(34-24)35-7-8-37(21(16-35)17-3-5-30-11-17)25(40)18-12-33-36(14-18)9-10-39;1-12-9-27(10-13(2)29(12)14(3)30)18-6-7-24-19(26-18)16-8-25-17-5-4-15(11-28(16)17)20(21,22)23;20-19(21,22)13-2-3-15-25-8-14(28(15)9-13)17-24-6-4-16(26-17)27-7-1-5-18(12-27)10-23-11-18;19-18(20,21)12-1-2-14-24-7-13(27(14)8-12)16-23-4-3-15(25-16)26-5-6-28-17(11-26)9-22-10-17/h1-4,6,11-15,21,39H,5,7-10,16H2;4-8,11-13H,9-10H2,1-3H3;2-4,6,8-9,23H,1,5,7,10-12H2;1-4,7-8,22H,5-6,9-11H2/t;12-,13+;;.
What are the key properties of 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane?
3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 1748.72 g/mol, XLogP of 10.58, 12 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-diazaspiro[3.5]nonan-6-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;1-[(2S,6R)-2,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;[1-(2-hydroxyethyl)pyrazol-4-yl]-[2-(2H-pyrrol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone;8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 161362364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).