(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide

C188H198F4N34O8 — CID 167706592

IUPAC(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
SMILESCc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc(C(C)CN[C@H](C(=O)Nc2ccc(C3CC(=O)N(C)C3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(F)c2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2F)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(F)c2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2F)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1
InChIInChI=1S/2C28H31N5O.C28H32N4O2.4C26H26FN5O/c2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3;1-19-9-11-21(12-10-19)20(2)16-30-27(22-7-5-4-6-8-22)28(34)31-25-14-13-23(17-29-25)24-15-26(33)32(3)18-24;2*1-18-6-8-19(9-7-18)12-13-28-25(20-4-3-5-23(27)14-20)26(33)31-24-11-10-21(15-29-24)22-16-30-32(2)17-22;2*1-18-7-9-19(10-8-18)13-14-28-25(22-5-3-4-6-23(22)27)26(33)31-24-12-11-20(15-29-24)21-16-30-32(2)17-21/h2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34);4-14,17,20,24,27,30H,15-16,18H2,1-3H3,(H,29,31,34);2*3-11,14-17,25,28H,12-13H2,1-2H3,(H,29,31,33);2*3-12,15-17,25,28H,13-14H2,1-2H3,(H,29,31,33)/t20?,27-;20-,27+;20?,24?,27-;4*25-/m1101010/s1
InChIKeyZENLELOXSHILAG-JZZXBGGASA-N
MW3137.87 g/mol
LogP32.52
Rot. Bonds56

About (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide

(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide (PubChem CID 167706592) has the molecular formula C188H198F4N34O8 and a molecular weight of 3137.87 g/mol. Its IUPAC name is (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
PubChem CID167706592
Molecular FormulaC188H198F4N34O8
Molecular Weight3137.87 g/mol
Exact Mass3135.61
IUPAC Name(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
SMILESCc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc(C(C)CN[C@H](C(=O)Nc2ccc(C3CC(=O)N(C)C3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(F)c2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2F)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(F)c2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2F)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1
InChIInChI=1S/2C28H31N5O.C28H32N4O2.4C26H26FN5O/c2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3;1-19-9-11-21(12-10-19)20(2)16-30-27(22-7-5-4-6-8-22)28(34)31-25-14-13-23(17-29-25)24-15-26(33)32(3)18-24;2*1-18-6-8-19(9-7-18)12-13-28-25(20-4-3-5-23(27)14-20)26(33)31-24-11-10-21(15-29-24)22-16-30-32(2)17-22;2*1-18-7-9-19(10-8-18)13-14-28-25(22-5-3-4-6-23(22)27)26(33)31-24-12-11-20(15-29-24)21-16-30-32(2)17-21/h2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34);4-14,17,20,24,27,30H,15-16,18H2,1-3H3,(H,29,31,34);2*3-11,14-17,25,28H,12-13H2,1-2H3,(H,29,31,33);2*3-12,15-17,25,28H,13-14H2,1-2H3,(H,29,31,33)/t20?,27-;20-,27+;20?,24?,27-;4*25-/m1101010/s1
InChIKeyZENLELOXSHILAG-JZZXBGGASA-N
XLogP32.52
TPSA505.37 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds56
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003137.87
LogP ≤ 532.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Analyze (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
CID 167706593
(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190906
(2S)-2-[2-(3-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 159385072
(2S)-2-[[(2S)-2-(2-fluoro-4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157442940
(2S)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 161116039
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
CID 139425941
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515086
(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 158261555
2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597287
(2S)-2-(4-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 160974493
3-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylpropanamide
CID 175625191
(2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide
CID 157335168

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide?
The IUPAC name of (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide (CID 167706592) is (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide is Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc(C(C)CN[C@H](C(=O)Nc2ccc(C3CC(=O)N(C)C3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(F)c2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2F)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(F)c2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccccc2F)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide?
The InChIKey is ZENLELOXSHILAG-JZZXBGGASA-N. The full InChI is InChI=1S/2C28H31N5O.C28H32N4O2.4C26H26FN5O/c2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3;1-19-9-11-21(12-10-19)20(2)16-30-27(22-7-5-4-6-8-22)28(34)31-25-14-13-23(17-29-25)24-15-26(33)32(3)18-24;2*1-18-6-8-19(9-7-18)12-13-28-25(20-4-3-5-23(27)14-20)26(33)31-24-11-10-21(15-29-24)22-16-30-32(2)17-22;2*1-18-7-9-19(10-8-18)13-14-28-25(22-5-3-4-6-23(22)27)26(33)31-24-12-11-20(15-29-24)21-16-30-32(2)17-21/h2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34);4-14,17,20,24,27,30H,15-16,18H2,1-3H3,(H,29,31,34);2*3-11,14-17,25,28H,12-13H2,1-2H3,(H,29,31,33);2*3-12,15-17,25,28H,13-14H2,1-2H3,(H,29,31,33)/t20?,27-;20-,27+;20?,24?,27-;4*25-/m1101010/s1.
What are the key properties of (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide?
(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide has a molecular weight of 3137.87 g/mol, XLogP of 32.52, 56 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(2-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-fluorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide is sourced from PubChem (CID 167706592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).