(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide

C200H237N35O13 — CID 167689408

IUPAC(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)[C@@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn[nH]c3)cn2)c2ccccc2)cc1
InChIInChI=1S/6C29H35N5O2.C26H27N5O/c6*1-4-33-16-17-34(20-27(33)35)25-14-15-26(30-19-25)32-29(36)28(24-8-6-5-7-9-24)31-18-22(3)23-12-10-21(2)11-13-23;1-18-8-10-20(11-9-18)19(2)14-28-25(21-6-4-3-5-7-21)26(32)31-24-13-12-22(15-27-24)23-16-29-30-17-23/h6*5-15,19,22,28,31H,4,16-18,20H2,1-3H3,(H,30,32,36);3-13,15-17,19,25,28H,14H2,1-2H3,(H,29,30)(H,27,31,32)/t3*22?,28-;22-,28+;2*22-,28-;19?,25-/m1000101/s1
InChIKeyWRXMHQLBWVOSKI-MXYMWKDVSA-N
MW3339.33 g/mol
LogP29.64
Rot. Bonds62

About (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide

(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 167689408) has the molecular formula C200H237N35O13 and a molecular weight of 3339.33 g/mol. Its IUPAC name is (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide
PubChem CID167689408
Molecular FormulaC200H237N35O13
Molecular Weight3339.33 g/mol
Exact Mass3336.90
IUPAC Name(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)[C@@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn[nH]c3)cn2)c2ccccc2)cc1
InChIInChI=1S/6C29H35N5O2.C26H27N5O/c6*1-4-33-16-17-34(20-27(33)35)25-14-15-26(30-19-25)32-29(36)28(24-8-6-5-7-9-24)31-18-22(3)23-12-10-21(2)11-13-23;1-18-8-10-20(11-9-18)19(2)14-28-25(21-6-4-3-5-7-21)26(32)31-24-13-12-22(15-27-24)23-16-29-30-17-23/h6*5-15,19,22,28,31H,4,16-18,20H2,1-3H3,(H,30,32,36);3-13,15-17,19,25,28H,14H2,1-2H3,(H,29,30)(H,27,31,32)/t3*22?,28-;22-,28+;2*22-,28-;19?,25-/m1000101/s1
InChIKeyWRXMHQLBWVOSKI-MXYMWKDVSA-N
XLogP29.64
TPSA548.12 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds62
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003339.33
LogP ≤ 529.64
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide
CID 158115257
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139425922
(2R)-2-(3-fluorophenyl)-N-[5-(4-methyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]acetamide
CID 157335168
(2R)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190906
(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 157190903
(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
CID 167706593
(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(6-methylpyridazin-3-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515065
3-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]propanamide
CID 139425924
2-[2-(4-cyanophenyl)propylamino]-N-[5-(3-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 139426448
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(2,4-dimethyl-5-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515094
(2S)-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-N-[5-(2,4-dimethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 164515098
(2R)-N-[5-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2R)-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;(2S)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide
CID 167586473

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide (CID 167689408) is (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide is CCN1CCN(c2ccc(NC(=O)[C@@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NCC(C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.Cc1ccc(C(C)CN[C@@H](C(=O)Nc2ccc(-c3cn[nH]c3)cn2)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is WRXMHQLBWVOSKI-MXYMWKDVSA-N. The full InChI is InChI=1S/6C29H35N5O2.C26H27N5O/c6*1-4-33-16-17-34(20-27(33)35)25-14-15-26(30-19-25)32-29(36)28(24-8-6-5-7-9-24)31-18-22(3)23-12-10-21(2)11-13-23;1-18-8-10-20(11-9-18)19(2)14-28-25(21-6-4-3-5-7-21)26(32)31-24-13-12-22(15-27-24)23-16-29-30-17-23/h6*5-15,19,22,28,31H,4,16-18,20H2,1-3H3,(H,30,32,36);3-13,15-17,19,25,28H,14H2,1-2H3,(H,29,30)(H,27,31,32)/t3*22?,28-;22-,28+;2*22-,28-;19?,25-/m1000101/s1.
What are the key properties of (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide?
(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 3339.33 g/mol, XLogP of 29.64, 62 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)propylamino]-2-phenylacetamide);(2R)-2-[2-(4-methylphenyl)propylamino]-2-phenyl-N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 167689408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).