(2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid

C146H190N16O10 — CID 159030378

IUPAC(2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
SMILESCCC(c1ccccc1)c1cc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1.CCn1nc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1C1(c2ccccc2)CC1.O=C(O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)CC2c2ccccc2)CC1.O=C(O)[C@@H](C1CCCCC1)N1CC(CN2CCC(c3cc(C4(c5ccccc5)CC4)n[nH]3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C38H50N4O2.C36H46N4O4.C36H46N4O2.C36H48N4O2/c1-2-42-35(38(20-21-38)32-16-10-5-11-17-32)24-34(39-42)29-18-22-40(23-19-29)25-31-26-41(27-33(31)28-12-6-3-7-13-28)36(37(43)44)30-14-8-4-9-15-30;41-34(42)25-40-33(21-31(37-40)20-26-10-4-1-5-11-26)28-16-18-38(19-17-28)22-30-23-39(24-32(30)27-12-6-2-7-13-27)35(36(43)44)29-14-8-3-9-15-29;41-35(42)34(28-12-6-2-7-13-28)40-24-29(31(25-40)26-10-4-1-5-11-26)23-39-20-16-27(17-21-39)32-22-33(38-37-32)36(18-19-36)30-14-8-3-9-15-30;1-2-31(26-12-6-3-7-13-26)34-22-33(37-38-34)28-18-20-39(21-19-28)23-30-24-40(25-32(30)27-14-8-4-9-15-27)35(36(41)42)29-16-10-5-11-17-29/h3,5-7,10-13,16-17,24,29-31,33,36H,2,4,8-9,14-15,18-23,25-27H2,1H3,(H,43,44);1-2,4-7,10-13,21,28-30,32,35H,3,8-9,14-20,22-25H2,(H,41,42)(H,43,44);1,3-5,8-11,14-15,22,27-29,31,34H,2,6-7,12-13,16-21,23-25H2,(H,37,38)(H,41,42);3-4,6-9,12-15,22,28-32,35H,2,5,10-11,16-21,23-25H2,1H3,(H,37,38)(H,41,42)/t31-,33+,36+;30-,32?,35+;29?,31-,34-;30-,31?,32+,35+/m0010/s1
InChIKeyJUUSFHVSJWIRNE-OEMYDEBXSA-N
MW2329.23 g/mol
LogP25.70
Rot. Bonds40

About (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid

(2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid (PubChem CID 159030378) has the molecular formula C146H190N16O10 and a molecular weight of 2329.23 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
PubChem CID159030378
Molecular FormulaC146H190N16O10
Molecular Weight2329.23 g/mol
Exact Mass2327.49
IUPAC Name(2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid
SMILESCCC(c1ccccc1)c1cc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1.CCn1nc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1C1(c2ccccc2)CC1.O=C(O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)CC2c2ccccc2)CC1.O=C(O)[C@@H](C1CCCCC1)N1CC(CN2CCC(c3cc(C4(c5ccccc5)CC4)n[nH]3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C38H50N4O2.C36H46N4O4.C36H46N4O2.C36H48N4O2/c1-2-42-35(38(20-21-38)32-16-10-5-11-17-32)24-34(39-42)29-18-22-40(23-19-29)25-31-26-41(27-33(31)28-12-6-3-7-13-28)36(37(43)44)30-14-8-4-9-15-30;41-34(42)25-40-33(21-31(37-40)20-26-10-4-1-5-11-26)28-16-18-38(19-17-28)22-30-23-39(24-32(30)27-12-6-2-7-13-27)35(36(43)44)29-14-8-3-9-15-29;41-35(42)34(28-12-6-2-7-13-28)40-24-29(31(25-40)26-10-4-1-5-11-26)23-39-20-16-27(17-21-39)32-22-33(38-37-32)36(18-19-36)30-14-8-3-9-15-30;1-2-31(26-12-6-3-7-13-26)34-22-33(37-38-34)28-18-20-39(21-19-28)23-30-24-40(25-32(30)27-14-8-4-9-15-27)35(36(41)42)29-16-10-5-11-17-29/h3,5-7,10-13,16-17,24,29-31,33,36H,2,4,8-9,14-15,18-23,25-27H2,1H3,(H,43,44);1-2,4-7,10-13,21,28-30,32,35H,3,8-9,14-20,22-25H2,(H,41,42)(H,43,44);1,3-5,8-11,14-15,22,27-29,31,34H,2,6-7,12-13,16-21,23-25H2,(H,37,38)(H,41,42);3-4,6-9,12-15,22,28-32,35H,2,5,10-11,16-21,23-25H2,1H3,(H,37,38)(H,41,42)/t31-,33+,36+;30-,32?,35+;29?,31-,34-;30-,31?,32+,35+/m0010/s1
InChIKeyJUUSFHVSJWIRNE-OEMYDEBXSA-N
XLogP25.70
TPSA305.42 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds40
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002329.23
LogP ≤ 525.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-((3S,4S)-3-{[4-(5-Benzyl-3-ethyl-1H-pyrazol-1-yl)piperidin-1-yl]methyl}-4-phenylpyrrolidin-1-yl)(cyclohexyl)acetic acid and (2R)-((3S,4S)-3-{[4-(3-benzyl-5-ethyl-1H-pyrazol-1-yl)piperidin-1-yl]methyl}-4-phenylpyrrolidin-1-yl)(cyclohexyl)acetic acid
CID 516318
(2R)-Cyclohexyl[(3S,4S)-3-({4-[5-ethyl-3-(2-phenylethyl)-1H-pyrazol-1-yl]piperidin-1-yl}methyl)-4-phenylpyrrolidin-1-yl]acetic acid and (2R)-cyclohexyl[(3S,4S)-3-({4-[3-ethyl-5-(2-phenylethyl)-1H-pyrazol-1-yl]piperidin-1-yl}methyl)-4-phenylpyrrolidin-1-yl]acetic acid
CID 516322
(2R)-3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(1-methylpyrazol-3-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-[3,3-difluoro-3-(1-methylpyrazol-4-yl)propyl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-3-cyclopropyl-2-[(4S)-3-[[4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]propanoic acid;(2R)-2-[(4S)-3-[[4-(3,3-difluoro-3-pyridin-3-ylpropyl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3,3-dimethylbutanoic acid
CID 91430008
(2R)-2-[(3S,4S)-3-[4-[3-[(R)-carboxy-[(3S,4S)-3-[[4-[5-[difluoro(phenyl)methyl]-1-ethylpyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methyl]cyclohexyl]phenyl]-4-[[4-[3-(4-cyanophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexylacetic acid
CID 142020825
CID 161759172
CID 161759172
(2R)-2-[(3S)-3-[[4-[5-[4-(aminomethyl)phenyl]-1-ethylpyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S)-3-[[4-(4-benzyl-1-ethylpyrazol-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S)-3-[[4-[3-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S)-3-[[4-[5-benzyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid
CID 162102164
2-[[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-2-cyclohexylacetic acid;2-[[(3S,4S)-3-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-2-cyclohexylacetic acid;3-cyclobutyl-2-[[(3S,4S)-3-[[4-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]propanoic acid;3-cyclopropyl-2-[[(3S,4S)-3-[[4-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]propanoic acid;2-[[(3S,4S)-3-[[4-[3-[(3,4-difluorophenyl)methyl]-1-methylpyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-3-methylbutanoic acid;2-[[(3S,4S)-3-[[4-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-3-methylbutanoic acid
CID 157263003
2-[[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-2-cyclohexylacetic acid;3-cyclobutyl-2-[[(3S,4S)-3-[[4-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]propanoic acid;3-cyclopropyl-2-[[(3S,4S)-3-[[4-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]propanoic acid;2-[[(3S,4S)-3-[[4-[3-[(3,4-difluorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-3-methylbutanoic acid;2-[[(3S,4S)-3-[[4-[1-ethyl-3-[(4-fluorophenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]amino]-3-methylbutanoic acid
CID 157679467
(2R)-2-[(3S,4S)-3-[[4-(3-benzyl-1-propylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-(5-benzyl-1-propylpyrazol-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S,4S)-3-[[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid
CID 158045558
(2R)-2-[(3S)-3-[[4-(3-benzyl-5-ethylpyrazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-[(3S)-3-[[4-(5-benzyl-3-ethylpyrazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-[[4-(3-methyl-5-phenylpyrazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-[[4-(5-methyl-3-phenylpyrazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 158130870
(2R)-2-[[(1R,3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)cyclopentyl]amino]-3,3-dimethylbutanoic acid;(2R)-2-[[(1R,3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid;(2R,3R)-2-[[(1R,3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)cyclopentyl]-methylamino]-3-methylpentanoic acid;2-[[(3S,4S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylcyclopentyl]-cyclohexylamino]acetic acid;(2R)-2-[[(1R,3S,4S)-3-[[4-[3-[(3,4-difluorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid;(2R)-2-[[(1R,3S,4S)-3-[[4-[1-ethyl-3-[(4-methylphenyl)methyl]pyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)cyclopentyl]-methylamino]-3-methylbutanoic acid
CID 158317858
(2R)-2-[(3S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-[[4-[3-ethyl-5-(2-phenylethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-[[4-[5-ethyl-3-(2-phenylethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 159196361

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid (CID 159030378) is (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid is CCC(c1ccccc1)c1cc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1.CCn1nc(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1C1(c2ccccc2)CC1.O=C(O)Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)CC2c2ccccc2)CC1.O=C(O)[C@@H](C1CCCCC1)N1CC(CN2CCC(c3cc(C4(c5ccccc5)CC4)n[nH]3)CC2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is JUUSFHVSJWIRNE-OEMYDEBXSA-N. The full InChI is InChI=1S/C38H50N4O2.C36H46N4O4.C36H46N4O2.C36H48N4O2/c1-2-42-35(38(20-21-38)32-16-10-5-11-17-32)24-34(39-42)29-18-22-40(23-19-29)25-31-26-41(27-33(31)28-12-6-3-7-13-28)36(37(43)44)30-14-8-4-9-15-30;41-34(42)25-40-33(21-31(37-40)20-26-10-4-1-5-11-26)28-16-18-38(19-17-28)22-30-23-39(24-32(30)27-12-6-2-7-13-27)35(36(43)44)29-14-8-3-9-15-29;41-35(42)34(28-12-6-2-7-13-28)40-24-29(31(25-40)26-10-4-1-5-11-26)23-39-20-16-27(17-21-39)32-22-33(38-37-32)36(18-19-36)30-14-8-3-9-15-30;1-2-31(26-12-6-3-7-13-26)34-22-33(37-38-34)28-18-20-39(21-19-28)23-30-24-40(25-32(30)27-14-8-4-9-15-27)35(36(41)42)29-16-10-5-11-17-29/h3,5-7,10-13,16-17,24,29-31,33,36H,2,4,8-9,14-15,18-23,25-27H2,1H3,(H,43,44);1-2,4-7,10-13,21,28-30,32,35H,3,8-9,14-20,22-25H2,(H,41,42)(H,43,44);1,3-5,8-11,14-15,22,27-29,31,34H,2,6-7,12-13,16-21,23-25H2,(H,37,38)(H,41,42);3-4,6-9,12-15,22,28-32,35H,2,5,10-11,16-21,23-25H2,1H3,(H,37,38)(H,41,42)/t31-,33+,36+;30-,32?,35+;29?,31-,34-;30-,31?,32+,35+/m0010/s1.
What are the key properties of (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid?
(2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 2329.23 g/mol, XLogP of 25.70, 40 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-[[4-[3-benzyl-1-(carboxymethyl)pyrazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[1-ethyl-5-(1-phenylcyclopropyl)pyrazol-3-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-phenyl-4-[[4-[3-(1-phenylcyclopropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-[[4-[3-(1-phenylpropyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 159030378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).