(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide

C150H169N19O25 — CID 162163922

IUPAC(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide
SMILESC[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(OCc2ccccc2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCC2CC2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCc2ccccc2)c1
InChIInChI=1S/C34H41N3O5.C33H39N3O5.C30H31N5O5.C27H31N5O5.C26H27N3O5/c1-23(36-33(40)34(2,41)31(38)32(39)37-21-28-11-7-18-35-30(28)22-37)25-13-15-26(16-14-25)27-10-6-12-29(20-27)42-19-17-24-8-4-3-5-9-24;1-22(35-32(39)30(37)31(38)33(40)36-20-27-10-6-17-34-29(27)21-36)24-12-14-25(15-13-24)26-9-5-11-28(19-26)41-18-16-23-7-3-2-4-8-23;1-20(33-29(38)30(2,39)27(36)28(37)34-17-23-10-6-13-31-24(23)18-34)22-11-12-25(35-15-7-14-32-35)26(16-22)40-19-21-8-4-3-5-9-21;1-17(19-8-9-22(32-12-4-11-29-32)23(13-19)37-16-18-6-7-18)30-26(35)27(2,36)24(33)25(34)31-14-20-5-3-10-28-21(20)15-31;1-17(19-9-5-11-21(13-19)34-16-18-7-3-2-4-8-18)28-25(32)23(30)24(31)26(33)29-14-20-10-6-12-27-22(20)15-29/h6-7,10-16,18,20,23-24,31,38,41H,3-5,8-9,17,19,21-22H2,1-2H3,(H,36,40);5-6,9-15,17,19,22-23,30-31,37-38H,2-4,7-8,16,18,20-21H2,1H3,(H,35,39);3-16,20,27,36,39H,17-19H2,1-2H3,(H,33,38);3-5,8-13,17-18,24,33,36H,6-7,14-16H2,1-2H3,(H,30,35);2-13,17,23-24,30-31H,14-16H2,1H3,(H,28,32)/t23-,31+,34-;22-,30-,31-;20-,27+,30-;17-,24+,27-;17-,23-,24-/m11111/s1
InChIKeyZMWDYZHZPDYUPK-UWVQBEJBSA-N
MW2638.11 g/mol
LogP16.14
Rot. Bonds46

About (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide

(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide (PubChem CID 162163922) has the molecular formula C150H169N19O25 and a molecular weight of 2638.11 g/mol. Its IUPAC name is (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide
PubChem CID162163922
Molecular FormulaC150H169N19O25
Molecular Weight2638.11 g/mol
Exact Mass2636.25
IUPAC Name(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide
SMILESC[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(OCc2ccccc2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCC2CC2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCc2ccccc2)c1
InChIInChI=1S/C34H41N3O5.C33H39N3O5.C30H31N5O5.C27H31N5O5.C26H27N3O5/c1-23(36-33(40)34(2,41)31(38)32(39)37-21-28-11-7-18-35-30(28)22-37)25-13-15-26(16-14-25)27-10-6-12-29(20-27)42-19-17-24-8-4-3-5-9-24;1-22(35-32(39)30(37)31(38)33(40)36-20-27-10-6-17-34-29(27)21-36)24-12-14-25(15-13-24)26-9-5-11-28(19-26)41-18-16-23-7-3-2-4-8-23;1-20(33-29(38)30(2,39)27(36)28(37)34-17-23-10-6-13-31-24(23)18-34)22-11-12-25(35-15-7-14-32-35)26(16-22)40-19-21-8-4-3-5-9-21;1-17(19-8-9-22(32-12-4-11-29-32)23(13-19)37-16-18-6-7-18)30-26(35)27(2,36)24(33)25(34)31-14-20-5-3-10-28-21(20)15-31;1-17(19-9-5-11-21(13-19)34-16-18-7-3-2-4-8-18)28-25(32)23(30)24(31)26(33)29-14-20-10-6-12-27-22(20)15-29/h6-7,10-16,18,20,23-24,31,38,41H,3-5,8-9,17,19,21-22H2,1-2H3,(H,36,40);5-6,9-15,17,19,22-23,30-31,37-38H,2-4,7-8,16,18,20-21H2,1H3,(H,35,39);3-16,20,27,36,39H,17-19H2,1-2H3,(H,33,38);3-5,8-13,17-18,24,33,36H,6-7,14-16H2,1-2H3,(H,30,35);2-13,17,23-24,30-31H,14-16H2,1H3,(H,28,32)/t23-,31+,34-;22-,30-,31-;20-,27+,30-;17-,24+,27-;17-,23-,24-/m11111/s1
InChIKeyZMWDYZHZPDYUPK-UWVQBEJBSA-N
XLogP16.14
TPSA595.59 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002638.11
LogP ≤ 516.14
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide with MolForge

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Related Compounds

(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide
CID 157939119
CID 158929776
CID 158929776
(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide
CID 159072126
(2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 159173626
(2R,3R)-4-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[2-(methylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 159275224
(2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 159541167
(2R,3R)-4-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[2-(2-cyclohexylethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[4-[2-(trifluoromethoxy)phenyl]cyclohexyl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 159588803
CID 159947753
CID 159947753
CID 160077718
CID 160077718
(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide
CID 161017892
(2R,3R)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(4-phenylphenyl)methyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[4-fluoro-2-(methoxymethyl)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 161452319
CID 161502797
CID 161502797

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide?
The IUPAC name of (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide (CID 162163922) is (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide?
The canonical SMILES for (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide is C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1cccc(OCc2ccccc2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-c2cccc(OCCC3CCCCC3)c2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCC2CC2)c1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2cccnc2C1)c1ccc(-n2cccn2)c(OCc2ccccc2)c1.
What is the InChIKey of (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide?
The InChIKey is ZMWDYZHZPDYUPK-UWVQBEJBSA-N. The full InChI is InChI=1S/C34H41N3O5.C33H39N3O5.C30H31N5O5.C27H31N5O5.C26H27N3O5/c1-23(36-33(40)34(2,41)31(38)32(39)37-21-28-11-7-18-35-30(28)22-37)25-13-15-26(16-14-25)27-10-6-12-29(20-27)42-19-17-24-8-4-3-5-9-24;1-22(35-32(39)30(37)31(38)33(40)36-20-27-10-6-17-34-29(27)21-36)24-12-14-25(15-13-24)26-9-5-11-28(19-26)41-18-16-23-7-3-2-4-8-23;1-20(33-29(38)30(2,39)27(36)28(37)34-17-23-10-6-13-31-24(23)18-34)22-11-12-25(35-15-7-14-32-35)26(16-22)40-19-21-8-4-3-5-9-21;1-17(19-8-9-22(32-12-4-11-29-32)23(13-19)37-16-18-6-7-18)30-26(35)27(2,36)24(33)25(34)31-14-20-5-3-10-28-21(20)15-31;1-17(19-9-5-11-21(13-19)34-16-18-7-3-2-4-8-18)28-25(32)23(30)24(31)26(33)29-14-20-10-6-12-27-22(20)15-29/h6-7,10-16,18,20,23-24,31,38,41H,3-5,8-9,17,19,21-22H2,1-2H3,(H,36,40);5-6,9-15,17,19,22-23,30-31,37-38H,2-4,7-8,16,18,20-21H2,1H3,(H,35,39);3-16,20,27,36,39H,17-19H2,1-2H3,(H,33,38);3-5,8-13,17-18,24,33,36H,6-7,14-16H2,1-2H3,(H,30,35);2-13,17,23-24,30-31H,14-16H2,1H3,(H,28,32)/t23-,31+,34-;22-,30-,31-;20-,27+,30-;17-,24+,27-;17-,23-,24-/m11111/s1.
What are the key properties of (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide?
(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide has a molecular weight of 2638.11 g/mol, XLogP of 16.14, 46 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[4-[3-(2-cyclohexylethoxy)phenyl]phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-pyrazol-1-ylphenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 162163922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).