(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide

C131H155N15O11S2 — CID 158115879

About (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide

(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide (PubChem CID 158115879) has the molecular formula C131H155N15O11S2 and a molecular weight of 2179.91 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
• PubChem CID: 158115879
• Molecular Formula: C131H155N15O11S2
• Molecular Weight: 2179.91 g/mol
• Exact Mass: 2178.15
• IUPAC Name: (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide
• SMILES: CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(c2cc(-c3ccccc3)nc3ccccc23)=CC1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(c2cc(-c3ccccc3)nc3ccccc23)=CC1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1)C1(C)CCOCC1.Cc1ccc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)C3CCC3)C3CCOCC3)n2)c2ccccc12
• InChI: InChI=1S/C36H42N4O2.C35H40N4O3.C30H38N4O3S.C30H35N3O3S/c1-3-24(2)35(41)39-34(26-15-8-5-9-16-26)36(42)40-22-12-19-33(40)31-21-20-30(37-31)28-23-32(25-13-6-4-7-14-25)38-29-18-11-10-17-27(28)29;1-3-23(2)34(40)38-33(25-17-20-42-21-18-25)35(41)39-19-9-14-32(39)30-16-15-29(36-30)27-22-31(24-10-5-4-6-11-24)37-28-13-8-7-12-26(27)28;1-19-11-12-23(22-9-6-5-8-21(19)22)24-18-38-28(32-24)25-10-7-15-34(25)29(36)26(33-27(35)20(2)31-4)30(3)13-16-37-17-14-30;1-19-11-12-24(23-9-3-2-8-22(19)23)25-18-37-29(31-25)26-10-5-15-33(26)30(35)27(20-13-16-36-17-14-20)32-28(34)21-6-4-7-21/h4,6-7,10-11,13-14,17-18,20,23-24,26,33-34H,3,5,8-9,12,15-16,19,21-22H2,1-2H3,(H,39,41);4-8,10-13,15,22-23,25,32-33H,3,9,14,16-21H2,1-2H3,(H,38,40);5-6,8-9,11-12,18,20,25-26,31H,7,10,13-17H2,1-4H3,(H,33,35);2-3,8-9,11-12,18,20-21,26-27H,4-7,10,13-17H2,1H3,(H,32,34)/t24-,33+,34+;23-,32+,33+;20-,25-,26+;26-,27-/m1100/s1
• InChIKey: FQZNRKRAAWEIBE-ISIIRSHZSA-N
• XLogP: 23.72
• TPSA: 313.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.91
LogP ≤ 5	23.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The IUPAC name of (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide (CID 158115879) is (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide.

What is the SMILES notation for (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The canonical SMILES for (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(c2cc(-c3ccccc3)nc3ccccc23)=CC1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(c2cc(-c3ccccc3)nc3ccccc23)=CC1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(C)c3ccccc23)cs1)C1(C)CCOCC1.Cc1ccc(-c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)C3CCC3)C3CCOCC3)n2)c2ccccc12.

What is the InChIKey of (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

The InChIKey is FQZNRKRAAWEIBE-ISIIRSHZSA-N. The full InChI is InChI=1S/C36H42N4O2.C35H40N4O3.C30H38N4O3S.C30H35N3O3S/c1-3-24(2)35(41)39-34(26-15-8-5-9-16-26)36(42)40-22-12-19-33(40)31-21-20-30(37-31)28-23-32(25-13-6-4-7-14-25)38-29-18-11-10-17-27(28)29;1-3-23(2)34(40)38-33(25-17-20-42-21-18-25)35(41)39-19-9-14-32(39)30-16-15-29(36-30)27-22-31(24-10-5-4-6-11-24)37-28-13-8-7-12-26(27)28;1-19-11-12-23(22-9-6-5-8-21(19)22)24-18-38-28(32-24)25-10-7-15-34(25)29(36)26(33-27(35)20(2)31-4)30(3)13-16-37-17-14-30;1-19-11-12-24(23-9-3-2-8-22(19)23)25-18-37-29(31-25)26-10-5-15-33(26)30(35)27(20-13-16-36-17-14-20)32-28(34)21-6-4-7-21/h4,6-7,10-11,13-14,17-18,20,23-24,26,33-34H,3,5,8-9,12,15-16,19,21-22H2,1-2H3,(H,39,41);4-8,10-13,15,22-23,25,32-33H,3,9,14,16-21H2,1-2H3,(H,38,40);5-6,8-9,11-12,18,20,25-26,31H,7,10,13-17H2,1-4H3,(H,33,35);2-3,8-9,11-12,18,20-21,26-27H,4-7,10,13-17H2,1H3,(H,32,34)/t24-,33+,34+;23-,32+,33+;20-,25-,26+;26-,27-/m1100/s1.

What are the key properties of (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide?

(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide has a molecular weight of 2179.91 g/mol, XLogP of 23.72, 29 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(4-methyloxan-4-yl)-2-oxoethyl]propanamide;N-[(1S)-2-[(2S)-2-[4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]cyclobutanecarboxamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[5-(2-phenylquinolin-4-yl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 158115879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).