3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one

C143H155N17O24S — CID 162160805

IUPAC3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one
SMILESCc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3c(C)c[nH]c3C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccc[nH]3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccccc3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cncs3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C3=CCC=N3)cc2)on1.Cc1ccc(-c2ccc(CCC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3cc(C)no3)cc2)cn1
InChIInChI=1S/C25H29N3O4.C25H27N3O4.C25H26N2O4.2C23H25N3O4.C22H23N3O4S/c1-15-13-26-17(3)25(15)19-7-4-18(5-8-19)6-9-23(30)22-11-20(29)14-28(22)24(31)12-21-10-16(2)27-32-21;1-16-3-7-20(14-26-16)19-8-4-18(5-9-19)6-10-24(30)23-12-21(29)15-28(23)25(31)13-22-11-17(2)27-32-22;1-17-13-22(31-26-17)15-25(30)27-16-21(28)14-23(27)24(29)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19;2*1-15-11-19(30-25-15)13-23(29)26-14-18(27)12-21(26)22(28)9-6-16-4-7-17(8-5-16)20-3-2-10-24-20;1-14-8-18(29-24-14)10-22(28)25-12-17(26)9-19(25)20(27)7-4-15-2-5-16(6-3-15)21-11-23-13-30-21/h4-5,7-8,10,13,20,22,26,29H,6,9,11-12,14H2,1-3H3;3-5,7-9,11,14,21,23,29H,6,10,12-13,15H2,1-2H3;2-8,10-11,13,21,23,28H,9,12,14-16H2,1H3;3-5,7-8,10-11,18,21,27H,2,6,9,12-14H2,1H3;2-5,7-8,10-11,18,21,24,27H,6,9,12-14H2,1H3;2-3,5-6,8,11,13,17,19,26H,4,7,9-10,12H2,1H3/t20-,22+;2*21-,23+;2*18-,21+;17-,19+/m111111/s1
InChIKeyZMLKKMHBLJRYJK-YDGVMOEBSA-N
MW2527.97 g/mol
LogP17.72
Rot. Bonds42

About 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one

3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one (PubChem CID 162160805) has the molecular formula C143H155N17O24S and a molecular weight of 2527.97 g/mol. Its IUPAC name is 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one
PubChem CID162160805
Molecular FormulaC143H155N17O24S
Molecular Weight2527.97 g/mol
Exact Mass2526.12
IUPAC Name3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one
SMILESCc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3c(C)c[nH]c3C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccc[nH]3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccccc3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cncs3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C3=CCC=N3)cc2)on1.Cc1ccc(-c2ccc(CCC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3cc(C)no3)cc2)cn1
InChIInChI=1S/C25H29N3O4.C25H27N3O4.C25H26N2O4.2C23H25N3O4.C22H23N3O4S/c1-15-13-26-17(3)25(15)19-7-4-18(5-8-19)6-9-23(30)22-11-20(29)14-28(22)24(31)12-21-10-16(2)27-32-21;1-16-3-7-20(14-26-16)19-8-4-18(5-9-19)6-10-24(30)23-12-21(29)15-28(23)25(31)13-22-11-17(2)27-32-22;1-17-13-22(31-26-17)15-25(30)27-16-21(28)14-23(27)24(29)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19;2*1-15-11-19(30-25-15)13-23(29)26-14-18(27)12-21(26)22(28)9-6-16-4-7-17(8-5-16)20-3-2-10-24-20;1-14-8-18(29-24-14)10-22(28)25-12-17(26)9-19(25)20(27)7-4-15-2-5-16(6-3-15)21-11-23-13-30-21/h4-5,7-8,10,13,20,22,26,29H,6,9,11-12,14H2,1-3H3;3-5,7-9,11,14,21,23,29H,6,10,12-13,15H2,1-2H3;2-8,10-11,13,21,23,28H,9,12,14-16H2,1H3;3-5,7-8,10-11,18,21,27H,2,6,9,12-14H2,1H3;2-5,7-8,10-11,18,21,24,27H,6,9,12-14H2,1H3;2-3,5-6,8,11,13,17,19,26H,4,7,9-10,12H2,1H3/t20-,22+;2*21-,23+;2*18-,21+;17-,19+/m111111/s1
InChIKeyZMLKKMHBLJRYJK-YDGVMOEBSA-N
XLogP17.72
TPSA571.56 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002527.97
LogP ≤ 517.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one with MolForge

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Related Compounds

1-[2-[3-[1-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[[2-fluoro-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 167241698
(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71608569
4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 78131574
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 122529059
(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 122529062
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122529079
(2S,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122529081
(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[[(3R,5S)-1-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)propanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]propanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134492698
(2S,4R)-1-[(2R)-2-[3-[[(3R,5S)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[4-(1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-4-hydroxy-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134492752
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-[3-[[(3R,5S)-1-[(2R)-3-methyl-2-[3-[[(3R,5S)-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-5-[[4-(1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134492753
(2S,4R)-1-[(2R)-2-[3-[[(3R,5S)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134492784
(2S,3R,4S)-3,4-dihydroxy-1-[(2S)-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylbutanoyl]-N-[[4-[4-[(2R)-3-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)-3-oxopropyl]-1,3-thiazol-5-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 134579438

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one?
The IUPAC name of 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one (CID 162160805) is 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one.
What is the SMILES notation for 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one?
The canonical SMILES for 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one is Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3c(C)c[nH]c3C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccc[nH]3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccccc3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cncs3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(C3=CCC=N3)cc2)on1.Cc1ccc(-c2ccc(CCC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3cc(C)no3)cc2)cn1.
What is the InChIKey of 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one?
The InChIKey is ZMLKKMHBLJRYJK-YDGVMOEBSA-N. The full InChI is InChI=1S/C25H29N3O4.C25H27N3O4.C25H26N2O4.2C23H25N3O4.C22H23N3O4S/c1-15-13-26-17(3)25(15)19-7-4-18(5-8-19)6-9-23(30)22-11-20(29)14-28(22)24(31)12-21-10-16(2)27-32-21;1-16-3-7-20(14-26-16)19-8-4-18(5-9-19)6-10-24(30)23-12-21(29)15-28(23)25(31)13-22-11-17(2)27-32-22;1-17-13-22(31-26-17)15-25(30)27-16-21(28)14-23(27)24(29)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19;2*1-15-11-19(30-25-15)13-23(29)26-14-18(27)12-21(26)22(28)9-6-16-4-7-17(8-5-16)20-3-2-10-24-20;1-14-8-18(29-24-14)10-22(28)25-12-17(26)9-19(25)20(27)7-4-15-2-5-16(6-3-15)21-11-23-13-30-21/h4-5,7-8,10,13,20,22,26,29H,6,9,11-12,14H2,1-3H3;3-5,7-9,11,14,21,23,29H,6,10,12-13,15H2,1-2H3;2-8,10-11,13,21,23,28H,9,12,14-16H2,1H3;3-5,7-8,10-11,18,21,27H,2,6,9,12-14H2,1H3;2-5,7-8,10-11,18,21,24,27H,6,9,12-14H2,1H3;2-3,5-6,8,11,13,17,19,26H,4,7,9-10,12H2,1H3/t20-,22+;2*21-,23+;2*18-,21+;17-,19+/m111111/s1.
What are the key properties of 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one?
3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one has a molecular weight of 2527.97 g/mol, XLogP of 17.72, 42 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dimethyl-1H-pyrrol-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(6-methyl-3-pyridinyl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(3H-pyrrol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1,3-thiazol-5-yl)phenyl]propan-1-one is sourced from PubChem (CID 162160805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).