(2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide

C158H170F2N32O8 — CID 157389755

IUPAC(2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2cc(F)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-n3cnc(C)n3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2cc(F)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-n3cnc(C)n3)cn2)c2ccccc2)cc1
InChIInChI=1S/2C28H33N5O2.2C26H26FN5O.2C25H26N6O/c2*1-21-8-10-23(11-9-21)14-15-29-27(24-6-4-3-5-7-24)28(35)31-26-13-12-25(20-30-26)33-18-16-32(17-19-33)22(2)34;2*1-18-8-10-19(11-9-18)12-13-28-25(20-6-4-3-5-7-20)26(33)31-24-14-23(27)22(16-29-24)21-15-30-32(2)17-21;2*1-18-8-10-20(11-9-18)14-15-26-24(21-6-4-3-5-7-21)25(32)29-23-13-12-22(16-27-23)31-17-28-19(2)30-31/h2*3-13,20,27,29H,14-19H2,1-2H3,(H,30,31,35);2*3-11,14-17,25,28H,12-13H2,1-2H3,(H,29,31,33);2*3-13,16-17,24,26H,14-15H2,1-2H3,(H,27,29,32)/t2*27-;2*25-;2*24-/m101010/s1
InChIKeyBLWCIKAQWJGWGO-MIMQMDBNSA-N
MW2683.31 g/mol
LogP23.61
Rot. Bonds48

About (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide

(2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 157389755) has the molecular formula C158H170F2N32O8 and a molecular weight of 2683.31 g/mol. Its IUPAC name is (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide
PubChem CID157389755
Molecular FormulaC158H170F2N32O8
Molecular Weight2683.31 g/mol
Exact Mass2681.38
IUPAC Name(2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2cc(F)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-n3cnc(C)n3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2cc(F)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-n3cnc(C)n3)cn2)c2ccccc2)cc1
InChIInChI=1S/2C28H33N5O2.2C26H26FN5O.2C25H26N6O/c2*1-21-8-10-23(11-9-21)14-15-29-27(24-6-4-3-5-7-24)28(35)31-26-13-12-25(20-30-26)33-18-16-32(17-19-33)22(2)34;2*1-18-8-10-19(11-9-18)12-13-28-25(20-6-4-3-5-7-20)26(33)31-24-14-23(27)22(16-29-24)21-15-30-32(2)17-21;2*1-18-8-10-20(11-9-18)14-15-26-24(21-6-4-3-5-7-21)25(32)29-23-13-12-22(16-27-23)31-17-28-19(2)30-31/h2*3-13,20,27,29H,14-19H2,1-2H3,(H,30,31,35);2*3-11,14-17,25,28H,12-13H2,1-2H3,(H,29,31,33);2*3-13,16-17,24,26H,14-15H2,1-2H3,(H,27,29,32)/t2*27-;2*25-;2*24-/m101010/s1
InChIKeyBLWCIKAQWJGWGO-MIMQMDBNSA-N
XLogP23.61
TPSA468.28 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002683.31
LogP ≤ 523.61
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide 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

US10189836, Example 66
CID 129269791
US10189836, Example 64
CID 129269793
1-[4-[4-Amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 58529884
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2-fluoro-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90758816
[3-[2-[4-(4-Fluoropiperidine-1-carbonyl)anilino]-8-[4-(piperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-3-yl]piperidin-1-yl]-[4-[2-[4-(pyrrolidine-1-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]cyclohexa-2,4-dien-1-yl]methanone
CID 91167620
bis[(1S)-1-[5-[4-[2-fluoro-4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268232
2-[3-[4-[2-[3-Fluoro-5-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]-2-piperidin-4-ylpyrazol-1-ium-1-yl]-4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 123593577
4-[4-[[3-[[2-[1-fluoro-4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamoyl]cyclohexyl]-1,4-dimethyl-2H-pyridin-6-yl]amino]-5-methylpyrazol-1-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 129125736
4-[8-amino-3-[(2S)-1-[(E)-4-(dimethylamino)but-2-enoyl]-4-[6-[(1-methylpyrazol-4-yl)amino]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]piperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 132216460
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
2-[2-[2-[2-[[1-(1-Acetylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 144903490
N-[5-[5-fluoro-8-[4-[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]-2-pyridinyl]-2-methyl-4-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2-dihydro-1,7-naphthyridin-6-yl]-3-pyridinyl]benzamide
CID 145033903

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide (CID 157389755) is (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide is CC(=O)N1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)nc2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2cc(F)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-n3cnc(C)n3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2cc(F)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-n3cnc(C)n3)cn2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is BLWCIKAQWJGWGO-MIMQMDBNSA-N. The full InChI is InChI=1S/2C28H33N5O2.2C26H26FN5O.2C25H26N6O/c2*1-21-8-10-23(11-9-21)14-15-29-27(24-6-4-3-5-7-24)28(35)31-26-13-12-25(20-30-26)33-18-16-32(17-19-33)22(2)34;2*1-18-8-10-19(11-9-18)12-13-28-25(20-6-4-3-5-7-20)26(33)31-24-14-23(27)22(16-29-24)21-15-30-32(2)17-21;2*1-18-8-10-20(11-9-18)14-15-26-24(21-6-4-3-5-7-21)25(32)29-23-13-12-22(16-27-23)31-17-28-19(2)30-31/h2*3-13,20,27,29H,14-19H2,1-2H3,(H,30,31,35);2*3-11,14-17,25,28H,12-13H2,1-2H3,(H,29,31,33);2*3-13,16-17,24,26H,14-15H2,1-2H3,(H,27,29,32)/t2*27-;2*25-;2*24-/m101010/s1.
What are the key properties of (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide?
(2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 2683.31 g/mol, XLogP of 23.61, 48 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[4-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(3-methyl-1,2,4-triazol-1-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 157389755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).