(2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid

C133H173Cl3F5N11O8 — CID 158362090

IUPAC(2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
SMILESN#Cc1ccc(CCCC2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3cccc(F)c3)CC2)cc1C(F)(F)F.O=C(O)C(CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3Cl)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccc4nccn4c3)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C35H43F4N3O2.C34H46N4O2.C32H42Cl2N2O2.C32H42ClFN2O2/c36-30-11-5-10-27(19-30)31-23-42(33(34(43)44)26-8-2-1-3-9-26)22-29(31)21-41-16-14-24(15-17-41)6-4-7-25-12-13-28(20-40)32(18-25)35(37,38)39;39-34(40)33(29-12-5-2-6-13-29)38-24-30(31(25-38)28-10-3-1-4-11-28)23-36-19-16-26(17-20-36)8-7-9-27-14-15-32-35-18-21-37(32)22-27;33-28-16-25(17-29(34)19-28)9-4-6-23-12-14-35(15-13-23)20-27-21-36(22-30(27)26-10-2-1-3-11-26)31(32(37)38)18-24-7-5-8-24;33-30-19-28(34)13-12-26(30)11-5-6-23-14-16-35(17-15-23)20-27-21-36(22-29(27)25-9-2-1-3-10-25)31(32(37)38)18-24-7-4-8-24/h5,10-13,18-19,24,26,29,31,33H,1-4,6-9,14-17,21-23H2,(H,43,44);1,3-4,10-11,14-15,18,21-22,26,29-31,33H,2,5-9,12-13,16-17,19-20,23-25H2,(H,39,40);1-3,10-11,16-17,19,23-24,27,30-31H,4-9,12-15,18,20-22H2,(H,37,38);1-3,9-10,12-13,19,23-24,27,29,31H,4-8,11,14-18,20-22H2,(H,37,38)/t29-,31+,33+;30-,31+,33+;27-,30+,31+;27-,29+,31?/m0000/s1
InChIKeyGTPCWFZSUPXWFU-ONSQTDOOSA-N
MW2255.26 g/mol
LogP27.88
Rot. Bonds42

About (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid

(2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid (PubChem CID 158362090) has the molecular formula C133H173Cl3F5N11O8 and a molecular weight of 2255.26 g/mol. Its IUPAC name is (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
PubChem CID158362090
Molecular FormulaC133H173Cl3F5N11O8
Molecular Weight2255.26 g/mol
Exact Mass2252.25
IUPAC Name(2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
SMILESN#Cc1ccc(CCCC2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3cccc(F)c3)CC2)cc1C(F)(F)F.O=C(O)C(CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3Cl)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccc4nccn4c3)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C35H43F4N3O2.C34H46N4O2.C32H42Cl2N2O2.C32H42ClFN2O2/c36-30-11-5-10-27(19-30)31-23-42(33(34(43)44)26-8-2-1-3-9-26)22-29(31)21-41-16-14-24(15-17-41)6-4-7-25-12-13-28(20-40)32(18-25)35(37,38)39;39-34(40)33(29-12-5-2-6-13-29)38-24-30(31(25-38)28-10-3-1-4-11-28)23-36-19-16-26(17-20-36)8-7-9-27-14-15-32-35-18-21-37(32)22-27;33-28-16-25(17-29(34)19-28)9-4-6-23-12-14-35(15-13-23)20-27-21-36(22-30(27)26-10-2-1-3-11-26)31(32(37)38)18-24-7-5-8-24;33-30-19-28(34)13-12-26(30)11-5-6-23-14-16-35(17-15-23)20-27-21-36(22-29(27)25-9-2-1-3-10-25)31(32(37)38)18-24-7-4-8-24/h5,10-13,18-19,24,26,29,31,33H,1-4,6-9,14-17,21-23H2,(H,43,44);1,3-4,10-11,14-15,18,21-22,26,29-31,33H,2,5-9,12-13,16-17,19-20,23-25H2,(H,39,40);1-3,10-11,16-17,19,23-24,27,30-31H,4-9,12-15,18,20-22H2,(H,37,38);1-3,9-10,12-13,19,23-24,27,29,31H,4-8,11,14-18,20-22H2,(H,37,38)/t29-,31+,33+;30-,31+,33+;27-,30+,31+;27-,29+,31?/m0000/s1
InChIKeyGTPCWFZSUPXWFU-ONSQTDOOSA-N
XLogP27.88
TPSA216.21 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds42
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002255.26
LogP ≤ 527.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 91378854
6-[2-(6-Chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-chloro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;bis(6-[2-(2-fluoro-4-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid);6-[2-(3-fluoro-5-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[5-methyl-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 159553517
(2R)-2-[(3S,4S)-3-[[4-[3-(3-chloro-5-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(1,1-difluoroethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(4-fluoro-2-methylphenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;methane
CID 159835620
2-[(3S,4S)-3-[[4-[4-benzyl-2-(difluoromethyl)imidazol-1-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[(4-chlorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-[(3,5-difluorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-3-[(3-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid;methane
CID 160006767

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid (CID 158362090) is (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid is N#Cc1ccc(CCCC2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3cccc(F)c3)CC2)cc1C(F)(F)F.O=C(O)C(CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(F)cc3Cl)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCCc3ccc4nccn4c3)CC2)[C@@H](c2ccccc2)C1.O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3cc(Cl)cc(Cl)c3)CC2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid?
The InChIKey is GTPCWFZSUPXWFU-ONSQTDOOSA-N. The full InChI is InChI=1S/C35H43F4N3O2.C34H46N4O2.C32H42Cl2N2O2.C32H42ClFN2O2/c36-30-11-5-10-27(19-30)31-23-42(33(34(43)44)26-8-2-1-3-9-26)22-29(31)21-41-16-14-24(15-17-41)6-4-7-25-12-13-28(20-40)32(18-25)35(37,38)39;39-34(40)33(29-12-5-2-6-13-29)38-24-30(31(25-38)28-10-3-1-4-11-28)23-36-19-16-26(17-20-36)8-7-9-27-14-15-32-35-18-21-37(32)22-27;33-28-16-25(17-29(34)19-28)9-4-6-23-12-14-35(15-13-23)20-27-21-36(22-30(27)26-10-2-1-3-11-26)31(32(37)38)18-24-7-5-8-24;33-30-19-28(34)13-12-26(30)11-5-6-23-14-16-35(17-15-23)20-27-21-36(22-29(27)25-9-2-1-3-10-25)31(32(37)38)18-24-7-4-8-24/h5,10-13,18-19,24,26,29,31,33H,1-4,6-9,14-17,21-23H2,(H,43,44);1,3-4,10-11,14-15,18,21-22,26,29-31,33H,2,5-9,12-13,16-17,19-20,23-25H2,(H,39,40);1-3,10-11,16-17,19,23-24,27,30-31H,4-9,12-15,18,20-22H2,(H,37,38);1-3,9-10,12-13,19,23-24,27,29,31H,4-8,11,14-18,20-22H2,(H,37,38)/t29-,31+,33+;30-,31+,33+;27-,30+,31+;27-,29+,31?/m0000/s1.
What are the key properties of (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid?
(2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid has a molecular weight of 2255.26 g/mol, XLogP of 27.88, 42 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S,4S)-3-[[4-[3-(2-chloro-4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-[(3S,4S)-3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-[3-(3,5-dichlorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]propanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-(3-imidazo[1,2-a]pyridin-6-ylpropyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 158362090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).