tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine

C138H151N27O5 — CID 161045778

IUPACtert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine
SMILESC.CNC(=O)N1CC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CCC1c1ccccc1.Cc1ccc(-c2cc([C@@H]3CC[C@H](CCc4ccccc4)N(C(=O)OC(C)(C)C)C3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2cc([C@@H]3CC[C@H](CCc4ccccc4)NC3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2cc([C@@H]3CN[C@@H](CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2nc([C@@H]3CN[C@@H](CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1
InChIInChI=1S/C32H37N5O2.C27H28N6O.C27H29N5.C26H27N5O.C25H26N6O.CH4/c1-23-11-14-25(15-12-23)28-21-29(37(35-28)30-33-19-8-20-34-30)26-16-18-27(17-13-24-9-6-5-7-10-24)36(22-26)31(38)39-32(2,3)4;1-19-9-11-20(12-10-19)23-17-25(33(31-23)26-29-15-6-16-30-26)22-13-14-24(21-7-4-3-5-8-21)32(18-22)27(34)28-2;1-20-8-11-22(12-9-20)25-18-26(32(31-25)27-28-16-5-17-29-27)23-13-15-24(30-19-23)14-10-21-6-3-2-4-7-21;1-19-8-11-21(12-9-19)23-16-24(31(30-23)26-27-14-5-15-28-26)25-17-29-22(18-32-25)13-10-20-6-3-2-4-7-20;1-18-8-11-20(12-9-18)23-29-24(31(30-23)25-26-14-5-15-27-25)22-16-28-21(17-32-22)13-10-19-6-3-2-4-7-19;/h5-12,14-15,19-21,26-27H,13,16-18,22H2,1-4H3;3-12,15-17,22,24H,13-14,18H2,1-2H3,(H,28,34);2-9,11-12,16-18,23-24,30H,10,13-15,19H2,1H3;2-9,11-12,14-16,22,25,29H,10,13,17-18H2,1H3;2-9,11-12,14-15,21-22,28H,10,13,16-17H2,1H3;1H4/t26-,27+;;23-,24+;22-,25-;21-,22-;/m1.100./s1
InChIKeyUBMFRTZKNXPCME-VVSNDXQJSA-N
MW2267.91 g/mol
LogP25.39
Rot. Bonds28

About tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine

tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine (PubChem CID 161045778) has the molecular formula C138H151N27O5 and a molecular weight of 2267.91 g/mol. Its IUPAC name is tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine.

Molecular Properties

Compound Nametert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine
PubChem CID161045778
Molecular FormulaC138H151N27O5
Molecular Weight2267.91 g/mol
Exact Mass2266.24
IUPAC Nametert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine
SMILESC.CNC(=O)N1CC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CCC1c1ccccc1.Cc1ccc(-c2cc([C@@H]3CC[C@H](CCc4ccccc4)N(C(=O)OC(C)(C)C)C3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2cc([C@@H]3CC[C@H](CCc4ccccc4)NC3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2cc([C@@H]3CN[C@@H](CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2nc([C@@H]3CN[C@@H](CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1
InChIInChI=1S/C32H37N5O2.C27H28N6O.C27H29N5.C26H27N5O.C25H26N6O.CH4/c1-23-11-14-25(15-12-23)28-21-29(37(35-28)30-33-19-8-20-34-30)26-16-18-27(17-13-24-9-6-5-7-10-24)36(22-26)31(38)39-32(2,3)4;1-19-9-11-20(12-10-19)23-17-25(33(31-23)26-29-15-6-16-30-26)22-13-14-24(21-7-4-3-5-8-21)32(18-22)27(34)28-2;1-20-8-11-22(12-9-20)25-18-26(32(31-25)27-28-16-5-17-29-27)23-13-15-24(30-19-23)14-10-21-6-3-2-4-7-21;1-19-8-11-21(12-9-19)23-16-24(31(30-23)26-27-14-5-15-28-26)25-17-29-22(18-32-25)13-10-20-6-3-2-4-7-20;1-18-8-11-20(12-9-18)23-29-24(31(30-23)25-26-14-5-15-27-25)22-16-28-21(17-32-22)13-10-19-6-3-2-4-7-19;/h5-12,14-15,19-21,26-27H,13,16-18,22H2,1-4H3;3-12,15-17,22,24H,13-14,18H2,1-2H3,(H,28,34);2-9,11-12,16-18,23-24,30H,10,13-15,19H2,1H3;2-9,11-12,14-16,22,25,29H,10,13,17-18H2,1H3;2-9,11-12,14-15,21-22,28H,10,13,16-17H2,1H3;1H4/t26-,27+;;23-,24+;22-,25-;21-,22-;/m1.100./s1
InChIKeyUBMFRTZKNXPCME-VVSNDXQJSA-N
XLogP25.39
TPSA347.32 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002267.91
LogP ≤ 525.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine with MolForge

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Related Compounds

[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;[(2S)-2-[2-(5-ethylpyrimidin-2-yl)ethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-[(2S)-2-[(3-phenylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone;(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-[(2S)-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-1-yl]methanone
CID 167685028
Acetic acid;bis(3-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-5-phenyl-1,3-oxazolidin-2-one)
CID 88099245
2-amino-2-methyl-N-[(1S)-1-(6-methyl-8-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-phenylmethoxyethyl]propanamide;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl (3R)-3-methylpyrrolidine-1-carboxylate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-7-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl N-methylcarbamate;[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl (3S)-3-methylpyrrolidine-1-carboxylate
CID 91301558
tert-butyl (3R)-3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-[2-[[6-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-4-yl]piperidine-1-carboxylate
CID 129066883
tert-butyl (3R)-3-[8-[[6-[2-[(3S)-3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carbonyl]oxy-2-methylpropyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrrolidine-1-carboxylate
CID 129066955
benzyl 4-[3-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2,5-dihydropyrrol-1-yl]piperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;3-(2,5-dihydro-1H-pyrrol-3-yl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine;hydrochloride
CID 157153540
potassium;6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(6-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine;3-[(5S)-5-[4-[[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-2,6-dione;3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione;fluoride
CID 157210905
5-[(3R)-3-aminocyclopentyl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3R)-3-aminocyclopentyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;carbon dioxide;5-cyclohexyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157452022
1-O-benzyl 2-O-tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;tert-butyl (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 157483560
CID 157619385
CID 157619385
tert-butyl (2S)-2-[4-[2-[4-[2-[(1S)-1-[methyl(phenylmethoxycarbonyl)amino]ethyl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[5-[4-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]phenyl]pyrazin-2-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pyrrolidine-1-carboxylate;2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-(2-propan-2-yl-1H-imidazol-5-yl)pyridine;(1S)-1-[5-[4-[6-(2-cyclopentyl-3H-pyrrol-4-yl)pyridazin-3-yl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[4-[5-(2-cyclopentyl-3H-pyrrol-4-yl)pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[4-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]phenyl]-1H-imidazol-2-yl]ethanamine
CID 157915005
(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-methylimidazo[1,2-b]pyridazin-6-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]ethyl]-6-propan-2-yl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-(4-pyrazolo[1,5-a]pyridin-6-ylphenyl)ethyl]-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-(4-pyrrolo[1,2-b]pyridazin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
CID 157960733

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine?
The IUPAC name of tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine (CID 161045778) is tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine.
What is the SMILES notation for tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine?
The canonical SMILES for tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine is C.CNC(=O)N1CC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CCC1c1ccccc1.Cc1ccc(-c2cc([C@@H]3CC[C@H](CCc4ccccc4)N(C(=O)OC(C)(C)C)C3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2cc([C@@H]3CC[C@H](CCc4ccccc4)NC3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2cc([C@@H]3CN[C@@H](CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1.Cc1ccc(-c2nc([C@@H]3CN[C@@H](CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1.
What is the InChIKey of tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine?
The InChIKey is UBMFRTZKNXPCME-VVSNDXQJSA-N. The full InChI is InChI=1S/C32H37N5O2.C27H28N6O.C27H29N5.C26H27N5O.C25H26N6O.CH4/c1-23-11-14-25(15-12-23)28-21-29(37(35-28)30-33-19-8-20-34-30)26-16-18-27(17-13-24-9-6-5-7-10-24)36(22-26)31(38)39-32(2,3)4;1-19-9-11-20(12-10-19)23-17-25(33(31-23)26-29-15-6-16-30-26)22-13-14-24(21-7-4-3-5-8-21)32(18-22)27(34)28-2;1-20-8-11-22(12-9-20)25-18-26(32(31-25)27-28-16-5-17-29-27)23-13-15-24(30-19-23)14-10-21-6-3-2-4-7-21;1-19-8-11-21(12-9-19)23-16-24(31(30-23)26-27-14-5-15-28-26)25-17-29-22(18-32-25)13-10-20-6-3-2-4-7-20;1-18-8-11-20(12-9-18)23-29-24(31(30-23)25-26-14-5-15-27-25)22-16-28-21(17-32-22)13-10-19-6-3-2-4-7-19;/h5-12,14-15,19-21,26-27H,13,16-18,22H2,1-4H3;3-12,15-17,22,24H,13-14,18H2,1-2H3,(H,28,34);2-9,11-12,16-18,23-24,30H,10,13-15,19H2,1H3;2-9,11-12,14-16,22,25,29H,10,13,17-18H2,1H3;2-9,11-12,14-15,21-22,28H,10,13,16-17H2,1H3;1H4/t26-,27+;;23-,24+;22-,25-;21-,22-;/m1.100./s1.
What are the key properties of tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine?
tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine has a molecular weight of 2267.91 g/mol, XLogP of 25.39, 28 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-(2-phenylethyl)piperidine-1-carboxylate;methane;N-methyl-5-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-2-phenylpiperidine-1-carboxamide;2-[3-(4-methylphenyl)-5-[(3R,6R)-6-(2-phenylethyl)piperidin-3-yl]pyrazol-1-yl]pyrimidine;(2S,5S)-2-[3-(4-methylphenyl)-1-pyrimidin-2-ylpyrazol-5-yl]-5-(2-phenylethyl)morpholine;(2S,5S)-2-[5-(4-methylphenyl)-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]-5-(2-phenylethyl)morpholine is sourced from PubChem (CID 161045778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).