(3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one

C189H239N17O27 — CID 160994540

IUPAC(3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
SMILESCCc1cc(N2CC[C@@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(C)(O)C1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(N2CCCC2)C1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCN(C)CC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](N)C1
InChIInChI=1S/C29H37N3O4.C27H35N3O4.C27H34N2O4.2C27H34N2O3.C26H33N3O4.C26H32N2O5/c1-34-28-18-23(8-11-26(28)35-17-16-30-19-24(20-30)31-13-2-3-14-31)32-15-12-27(29(32)33)36-25-9-6-22(7-10-25)21-4-5-21;1-28-13-15-29(16-14-28)17-18-33-24-10-7-22(19-26(24)32-2)30-12-11-25(27(30)31)34-23-8-5-21(6-9-23)20-3-4-20;1-2-20-19-23(7-10-25(20)32-18-15-28-13-16-31-17-14-28)29-12-11-26(27(29)30)33-24-8-5-22(6-9-24)21-3-4-21;2*1-2-20-19-23(9-12-25(20)31-18-17-28-14-3-4-15-28)29-16-13-26(27(29)30)32-24-10-7-22(8-11-24)21-5-6-21;1-31-25-16-21(6-9-23(25)32-15-14-28-12-10-20(27)17-28)29-13-11-24(26(29)30)33-22-7-4-19(5-8-22)18-2-3-18;1-26(30)16-27(17-26)13-14-32-22-10-7-20(15-24(22)31-2)28-12-11-23(25(28)29)33-21-8-5-19(6-9-21)18-3-4-18/h6-11,18,21,24,27H,2-5,12-17,19-20H2,1H3;5-10,19-20,25H,3-4,11-18H2,1-2H3;5-10,19,21,26H,2-4,11-18H2,1H3;2*7-12,19,21,26H,2-6,13-18H2,1H3;4-9,16,18,20,24H,2-3,10-15,17,27H2,1H3;5-10,15,18,23,30H,3-4,11-14,16-17H2,1-2H3/t27-;25-;3*26-;20-,24+;23-/m0001010/s1
InChIKeyTVBLNUFVUKFFIT-AJTOQZQKSA-N
MW3181.08 g/mol
LogP27.26
Rot. Bonds64

About (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one

(3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one (PubChem CID 160994540) has the molecular formula C189H239N17O27 and a molecular weight of 3181.08 g/mol. Its IUPAC name is (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
PubChem CID160994540
Molecular FormulaC189H239N17O27
Molecular Weight3181.08 g/mol
Exact Mass3178.79
IUPAC Name(3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one
SMILESCCc1cc(N2CC[C@@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(C)(O)C1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(N2CCCC2)C1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCN(C)CC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](N)C1
InChIInChI=1S/C29H37N3O4.C27H35N3O4.C27H34N2O4.2C27H34N2O3.C26H33N3O4.C26H32N2O5/c1-34-28-18-23(8-11-26(28)35-17-16-30-19-24(20-30)31-13-2-3-14-31)32-15-12-27(29(32)33)36-25-9-6-22(7-10-25)21-4-5-21;1-28-13-15-29(16-14-28)17-18-33-24-10-7-22(19-26(24)32-2)30-12-11-25(27(30)31)34-23-8-5-21(6-9-23)20-3-4-20;1-2-20-19-23(7-10-25(20)32-18-15-28-13-16-31-17-14-28)29-12-11-26(27(29)30)33-24-8-5-22(6-9-24)21-3-4-21;2*1-2-20-19-23(9-12-25(20)31-18-17-28-14-3-4-15-28)29-16-13-26(27(29)30)32-24-10-7-22(8-11-24)21-5-6-21;1-31-25-16-21(6-9-23(25)32-15-14-28-12-10-20(27)17-28)29-13-11-24(26(29)30)33-22-7-4-19(5-8-22)18-2-3-18;1-26(30)16-27(17-26)13-14-32-22-10-7-20(15-24(22)31-2)28-12-11-23(25(28)29)33-21-8-5-19(6-9-21)18-3-4-18/h6-11,18,21,24,27H,2-5,12-17,19-20H2,1H3;5-10,19-20,25H,3-4,11-18H2,1-2H3;5-10,19,21,26H,2-4,11-18H2,1H3;2*7-12,19,21,26H,2-6,13-18H2,1H3;4-9,16,18,20,24H,2-3,10-15,17,27H2,1H3;5-10,15,18,23,30H,3-4,11-14,16-17H2,1-2H3/t27-;25-;3*26-;20-,24+;23-/m0001010/s1
InChIKeyTVBLNUFVUKFFIT-AJTOQZQKSA-N
XLogP27.26
TPSA392.95 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds64
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003181.08
LogP ≤ 527.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Analyze (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one (CID 160994540) is (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one is CCc1cc(N2CC[C@@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCOCC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(C)(O)C1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(N2CCCC2)C1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCN(C)CC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](N)C1.
What is the InChIKey of (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is TVBLNUFVUKFFIT-AJTOQZQKSA-N. The full InChI is InChI=1S/C29H37N3O4.C27H35N3O4.C27H34N2O4.2C27H34N2O3.C26H33N3O4.C26H32N2O5/c1-34-28-18-23(8-11-26(28)35-17-16-30-19-24(20-30)31-13-2-3-14-31)32-15-12-27(29(32)33)36-25-9-6-22(7-10-25)21-4-5-21;1-28-13-15-29(16-14-28)17-18-33-24-10-7-22(19-26(24)32-2)30-12-11-25(27(30)31)34-23-8-5-21(6-9-23)20-3-4-20;1-2-20-19-23(7-10-25(20)32-18-15-28-13-16-31-17-14-28)29-12-11-26(27(29)30)33-24-8-5-22(6-9-24)21-3-4-21;2*1-2-20-19-23(9-12-25(20)31-18-17-28-14-3-4-15-28)29-16-13-26(27(29)30)32-24-10-7-22(8-11-24)21-5-6-21;1-31-25-16-21(6-9-23(25)32-15-14-28-12-10-20(27)17-28)29-13-11-24(26(29)30)33-22-7-4-19(5-8-22)18-2-3-18;1-26(30)16-27(17-26)13-14-32-22-10-7-20(15-24(22)31-2)28-12-11-23(25(28)29)33-21-8-5-19(6-9-21)18-3-4-18/h6-11,18,21,24,27H,2-5,12-17,19-20H2,1H3;5-10,19-20,25H,3-4,11-18H2,1-2H3;5-10,19,21,26H,2-4,11-18H2,1H3;2*7-12,19,21,26H,2-6,13-18H2,1H3;4-9,16,18,20,24H,2-3,10-15,17,27H2,1H3;5-10,15,18,23,30H,3-4,11-14,16-17H2,1-2H3/t27-;25-;3*26-;20-,24+;23-/m0001010/s1.
What are the key properties of (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one?
(3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 3181.08 g/mol, XLogP of 27.26, 64 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[2-[(3R)-3-aminopyrrolidin-1-yl]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-(3-pyrrolidin-1-ylazetidin-1-yl)ethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 160994540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).