(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide

C164H180F4N28O6 — CID 167653394

IUPAC(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F
InChIInChI=1S/2C28H34N4O.4C27H28FN5O/c2*1-20-9-11-23(12-10-20)22(3)17-30-27(24-7-5-4-6-8-24)28(33)31-26-14-13-25(18-29-26)32-16-15-21(2)19-32;4*1-18-9-10-21(13-24(18)28)19(2)14-30-26(20-7-5-4-6-8-20)27(34)32-25-12-11-22(15-29-25)23-16-31-33(3)17-23/h2*4-14,18,21-22,27,30H,15-17,19H2,1-3H3,(H,29,31,33);4*4-13,15-17,19,26,30H,14H2,1-3H3,(H,29,32,34)/t21-,22?,27-;21-,22+,27+;2*19?,26-;19-,26+;19-,26-/m111110/s1
InChIKeyQXENLJKLMWCDCB-DYZYFDNYSA-N
MW2715.43 g/mol
LogP30.63
Rot. Bonds48

About (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide

(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 167653394) has the molecular formula C164H180F4N28O6 and a molecular weight of 2715.43 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID167653394
Molecular FormulaC164H180F4N28O6
Molecular Weight2715.43 g/mol
Exact Mass2713.46
IUPAC Name(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F
InChIInChI=1S/2C28H34N4O.4C27H28FN5O/c2*1-20-9-11-23(12-10-20)22(3)17-30-27(24-7-5-4-6-8-24)28(33)31-26-14-13-25(18-29-26)32-16-15-21(2)19-32;4*1-18-9-10-21(13-24(18)28)19(2)14-30-26(20-7-5-4-6-8-20)27(34)32-25-12-11-22(15-29-25)23-16-31-33(3)17-23/h2*4-14,18,21-22,27,30H,15-17,19H2,1-3H3,(H,29,31,33);4*4-13,15-17,19,26,30H,14H2,1-3H3,(H,29,32,34)/t21-,22?,27-;21-,22+,27+;2*19?,26-;19-,26+;19-,26-/m111110/s1
InChIKeyQXENLJKLMWCDCB-DYZYFDNYSA-N
XLogP30.63
TPSA401.88 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds48
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002715.43
LogP ≤ 530.63
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157052033
7-[[4-[3-(1-acetylazetidin-3-yl)-5-(trifluoromethyl)-1H-imidazol-3-ium-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylazetidin-3-yl)-5-(trifluoromethyl)-1H-imidazol-3-ium-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-(2-fluoro-6-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-fluoro-1-(2-methylpropanoyl)piperidin-4-yl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157090055
5-Anilino-6-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-methyl-1-(2-methylpropyl)-4-sulfanylidenepyrrolo[3,4-d]pyrimidin-2-one;5-anilino-1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-6-[(6-methyl-3-pyridinyl)methyl]-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 157123224
N-benzyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-cyclohexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(3,3-diphenylpropyl)-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-hexyl-6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide;N-(3-phenylpropyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 157141744
tert-butyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-[[2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-4-ylimidazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-4-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]acetamide
CID 157175782
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylnaphthalen-1-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;N-[6-amino-5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 157224718
6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-[(5-ethyl-2-pyridinyl)methyl]-5-fluoropyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-(2-phenylethyl)pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine;1-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine
CID 157265952
(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[5-(3-ethyl-2-oxoimidazolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide
CID 157287413
CID 157297860
CID 157297860
N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(1,3-diethylpyrazol-5-yl)-6-fluoro-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[6-fluoro-5-(1-methylindol-2-yl)-2-pyridinyl]benzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]-2,6-difluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]-2-fluorobenzamide;N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-6-fluoro-2-pyridinyl]-4-methylbenzamide
CID 157331920
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157356698

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide (CID 167653394) is (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide is Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(N3CC[C@@H](C)C3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2)cc1F.
What is the InChIKey of (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is QXENLJKLMWCDCB-DYZYFDNYSA-N. The full InChI is InChI=1S/2C28H34N4O.4C27H28FN5O/c2*1-20-9-11-23(12-10-20)22(3)17-30-27(24-7-5-4-6-8-24)28(33)31-26-14-13-25(18-29-26)32-16-15-21(2)19-32;4*1-18-9-10-21(13-24(18)28)19(2)14-30-26(20-7-5-4-6-8-20)27(34)32-25-12-11-22(15-29-25)23-16-31-33(3)17-23/h2*4-14,18,21-22,27,30H,15-17,19H2,1-3H3,(H,29,31,33);4*4-13,15-17,19,26,30H,14H2,1-3H3,(H,29,32,34)/t21-,22?,27-;21-,22+,27+;2*19?,26-;19-,26+;19-,26-/m111110/s1.
What are the key properties of (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide?
(2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 2715.43 g/mol, XLogP of 30.63, 48 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(3-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide;bis((2R)-2-[2-(3-fluoro-4-methylphenyl)propylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide);(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)propylamino]-N-[5-[(3R)-3-methylpyrrolidin-1-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 167653394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).