(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone

C195H187N35O7 — CID 157290117

IUPAC(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2cnn3cc(-c4cn[nH]c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnn3cc(-c4cn[nH]c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1
InChIInChI=1S/C29H29N5O.4C28H27N5O.2C27H25N5O/c1-20-9-11-22(12-10-20)21(2)15-30-28(23-7-5-4-6-8-23)29(35)26-17-32-34-19-24(13-14-27(26)34)25-16-31-33(3)18-25;2*1-20-8-10-21(11-9-20)12-14-29-27(22-6-4-3-5-7-22)28(34)25-18-30-26-16-23(13-15-33(25)26)24-17-31-32(2)19-24;2*1-20-8-10-21(11-9-20)14-15-29-27(22-6-4-3-5-7-22)28(34)25-17-31-33-19-23(12-13-26(25)33)24-16-30-32(2)18-24;2*1-19-7-9-20(10-8-19)13-14-28-26(21-5-3-2-4-6-21)27(33)24-17-31-32-18-22(11-12-25(24)32)23-15-29-30-16-23/h4-14,16-19,21,28,30H,15H2,1-3H3;2*3-11,13,15-19,27,29H,12,14H2,1-2H3;2*3-13,16-19,27,29H,14-15H2,1-2H3;2*2-12,15-18,26,28H,13-14H2,1H3,(H,29,30)/t21-,28-;4*27-;2*26-/m1101010/s1
InChIKeyBARWNLIBFPNQNX-GTEWNXCRSA-N
MW3132.88 g/mol
LogP34.14
Rot. Bonds56

About (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone

(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone (PubChem CID 157290117) has the molecular formula C195H187N35O7 and a molecular weight of 3132.88 g/mol. Its IUPAC name is (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone
PubChem CID157290117
Molecular FormulaC195H187N35O7
Molecular Weight3132.88 g/mol
Exact Mass3130.54
IUPAC Name(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone
SMILESCc1ccc(CCN[C@@H](C(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2cnn3cc(-c4cn[nH]c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnn3cc(-c4cn[nH]c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1
InChIInChI=1S/C29H29N5O.4C28H27N5O.2C27H25N5O/c1-20-9-11-22(12-10-20)21(2)15-30-28(23-7-5-4-6-8-23)29(35)26-17-32-34-19-24(13-14-27(26)34)25-16-31-33(3)18-25;2*1-20-8-10-21(11-9-20)12-14-29-27(22-6-4-3-5-7-22)28(34)25-18-30-26-16-23(13-15-33(25)26)24-17-31-32(2)19-24;2*1-20-8-10-21(11-9-20)14-15-29-27(22-6-4-3-5-7-22)28(34)25-17-31-33-19-23(12-13-26(25)33)24-16-30-32(2)18-24;2*1-19-7-9-20(10-8-19)13-14-28-26(21-5-3-2-4-6-21)27(33)24-17-31-32-18-22(11-12-25(24)32)23-15-29-30-16-23/h4-14,16-19,21,28,30H,15H2,1-3H3;2*3-11,13,15-19,27,29H,12,14H2,1-2H3;2*3-13,16-19,27,29H,14-15H2,1-2H3;2*2-12,15-18,26,28H,13-14H2,1H3,(H,29,30)/t21-,28-;4*27-;2*26-/m1101010/s1
InChIKeyBARWNLIBFPNQNX-GTEWNXCRSA-N
XLogP34.14
TPSA471.26 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds56
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003132.88
LogP ≤ 534.14
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Analyze (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone with MolForge

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Related Compounds

6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[6-[4-[5-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]pyridazin-4-yl]piperazin-1-yl]-3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
CID 137387422
6-[4-[[2-[6-(1H-indazol-5-ylamino)-2-[2-[[3-(trifluoromethyl)pyridin-4-yl]carbamoyl]-1H-indol-6-yl]pyrimidin-4-yl]-6-(1H-pyrazol-4-yl)pyridin-3-yl]amino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137387712
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145033350
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145034165
N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145252871
5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane
CID 157154090
[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone;[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone
CID 157192282
[4-[8-tert-butyl-6-(4-methylphenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone;[3,3-dimethyl-4-[8-propan-2-yl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2-methyl-1H-imidazol-5-yl)piperazin-2-one;4-[6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one
CID 157222251
6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indazole;7-tert-butyl-2-methylidene-1,4-dihydroquinolin-3-one;5-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-1-methylindole;6-tert-butyl-1-methylindole;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 157227174
1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157255986
2-[[4-[5-amino-6-(3-aminopropyl)pyrazin-2-yl]phenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;3-[[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]methylamino]-5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157291192
1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
CID 157300408

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone (CID 157290117) is (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone is Cc1ccc(CCN[C@@H](C(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2cnn3cc(-c4cn[nH]c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnc3cc(-c4cnn(C)c4)ccn23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnn3cc(-c4cn[nH]c4)ccc23)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)c2cnn3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone?
The InChIKey is BARWNLIBFPNQNX-GTEWNXCRSA-N. The full InChI is InChI=1S/C29H29N5O.4C28H27N5O.2C27H25N5O/c1-20-9-11-22(12-10-20)21(2)15-30-28(23-7-5-4-6-8-23)29(35)26-17-32-34-19-24(13-14-27(26)34)25-16-31-33(3)18-25;2*1-20-8-10-21(11-9-20)12-14-29-27(22-6-4-3-5-7-22)28(34)25-18-30-26-16-23(13-15-33(25)26)24-17-31-32(2)19-24;2*1-20-8-10-21(11-9-20)14-15-29-27(22-6-4-3-5-7-22)28(34)25-17-31-33-19-23(12-13-26(25)33)24-16-30-32(2)18-24;2*1-19-7-9-20(10-8-19)13-14-28-26(21-5-3-2-4-6-21)27(33)24-17-31-32-18-22(11-12-25(24)32)23-15-29-30-16-23/h4-14,16-19,21,28,30H,15H2,1-3H3;2*3-11,13,15-19,27,29H,12,14H2,1-2H3;2*3-13,16-19,27,29H,14-15H2,1-2H3;2*2-12,15-18,26,28H,13-14H2,1H3,(H,29,30)/t21-,28-;4*27-;2*26-/m1101010/s1.
What are the key properties of (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone?
(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone has a molecular weight of 3132.88 g/mol, XLogP of 34.14, 56 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone;(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenyl-1-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethanone;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-phenylethanone is sourced from PubChem (CID 157290117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).