1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one

C192H229F7N10O19S — CID 157277051

IUPAC1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
SMILESC=C(C)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cc3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3C)C2)cc1.C=C(C)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)s1.CC(=O)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC(C)(F)F)cc3)C2)cc1.CC(=O)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCCC(F)F)cc3)C2)cc1.CC1=C(C(=O)C[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)C=CC1.C[C@H](CC(=O)Cc1cccnc1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C31H37N3O3S.C30H34N2O3.C30H35NO3.C27H35NO2.C26H30F3NO2.2C24H29F2NO3/c1-20(2)32-31-33-22(4)30(38-31)29(35)17-21(3)24-7-11-27(12-8-24)37-28-15-16-34(18-28)25-9-13-26(14-10-25)36-19-23-5-6-23;1-22(17-27(33)18-24-3-2-15-31-19-24)25-6-10-29(11-7-25)35-30-14-16-32(20-30)26-8-12-28(13-9-26)34-21-23-4-5-23;1-21-4-3-5-29(21)30(32)18-22(2)24-8-12-27(13-9-24)34-28-16-17-31(19-28)25-10-14-26(15-11-25)33-20-23-6-7-23;1-19(2)15-20(3)23-7-9-24(10-8-23)30-26-13-14-28(17-26)27-12-11-25(16-21(27)4)29-18-22-5-6-22;1-17(2)12-18(3)19-4-6-21(7-5-19)32-23-10-11-30(15-23)25-9-8-22(13-24(25)27)31-16-20-14-26(20,28)29;1-17(14-18(2)28)19-4-8-22(9-5-19)30-23-12-13-27(15-23)20-6-10-21(11-7-20)29-16-24(3,25)26;1-17(15-18(2)28)19-3-7-22(8-4-19)30-23-11-13-27(16-23)20-5-9-21(10-6-20)29-14-12-24(25)26/h7-14,21,23,28H,1,5-6,15-19H2,2-4H3,(H,32,33);2-3,6-13,15,19,22-23,30H,4-5,14,16-18,20-21H2,1H3;3,5,8-15,22-23,28H,4,6-7,16-20H2,1-2H3;7-12,16,20,22,26H,1,5-6,13-15,17-18H2,2-4H3;4-9,13,18,20,23H,1,10-12,14-16H2,2-3H3;4-11,17,23H,12-16H2,1-3H3;3-10,17,23-24H,11-16H2,1-2H3/t21-,28?;22-,30-;22-,28-;20-,26?;18-,20?,23?;2*17-,23?/m1111111/s1
InChIKeyAZFOLRFPRKDBPQ-XQRTZDJDSA-N
MW3146.05 g/mol
LogP43.55
Rot. Bonds70

About 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one

1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one (PubChem CID 157277051) has the molecular formula C192H229F7N10O19S and a molecular weight of 3146.05 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
PubChem CID157277051
Molecular FormulaC192H229F7N10O19S
Molecular Weight3146.05 g/mol
Exact Mass3143.69
IUPAC Name1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
SMILESC=C(C)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cc3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3C)C2)cc1.C=C(C)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)s1.CC(=O)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC(C)(F)F)cc3)C2)cc1.CC(=O)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCCC(F)F)cc3)C2)cc1.CC1=C(C(=O)C[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)C=CC1.C[C@H](CC(=O)Cc1cccnc1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C31H37N3O3S.C30H34N2O3.C30H35NO3.C27H35NO2.C26H30F3NO2.2C24H29F2NO3/c1-20(2)32-31-33-22(4)30(38-31)29(35)17-21(3)24-7-11-27(12-8-24)37-28-15-16-34(18-28)25-9-13-26(14-10-25)36-19-23-5-6-23;1-22(17-27(33)18-24-3-2-15-31-19-24)25-6-10-29(11-7-25)35-30-14-16-32(20-30)26-8-12-28(13-9-26)34-21-23-4-5-23;1-21-4-3-5-29(21)30(32)18-22(2)24-8-12-27(13-9-24)34-28-16-17-31(19-28)25-10-14-26(15-11-25)33-20-23-6-7-23;1-19(2)15-20(3)23-7-9-24(10-8-23)30-26-13-14-28(17-26)27-12-11-25(16-21(27)4)29-18-22-5-6-22;1-17(2)12-18(3)19-4-6-21(7-5-19)32-23-10-11-30(15-23)25-9-8-22(13-24(25)27)31-16-20-14-26(20,28)29;1-17(14-18(2)28)19-4-8-22(9-5-19)30-23-12-13-27(15-23)20-6-10-21(11-7-20)29-16-24(3,25)26;1-17(15-18(2)28)19-3-7-22(8-4-19)30-23-11-13-27(16-23)20-5-9-21(10-6-20)29-14-12-24(25)26/h7-14,21,23,28H,1,5-6,15-19H2,2-4H3,(H,32,33);2-3,6-13,15,19,22-23,30H,4-5,14,16-18,20-21H2,1H3;3,5,8-15,22-23,28H,4,6-7,16-20H2,1-2H3;7-12,16,20,22,26H,1,5-6,13-15,17-18H2,2-4H3;4-9,13,18,20,23H,1,10-12,14-16H2,2-3H3;4-11,17,23H,12-16H2,1-3H3;3-10,17,23-24H,11-16H2,1-2H3/t21-,28?;22-,30-;22-,28-;20-,26?;18-,20?,23?;2*17-,23?/m1111111/s1
InChIKeyAZFOLRFPRKDBPQ-XQRTZDJDSA-N
XLogP43.55
TPSA275.06 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds70
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003146.05
LogP ≤ 543.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one with MolForge

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Related Compounds

N-[5-[(3R)-3-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]butanoyl]-4-methyl-1,3-thiazol-2-yl]acetamide;(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethanamine
CID 157872670
(3R)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]butan-1-one;(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethanamine
CID 158850041
(4R)-4-[4-[1-[4-(cyclopropylmethoxy)-2-methylphenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 159768531
(3R)-1-cyclopenta-1,4-dien-1-yl-3-[4-[1-[5-[[(1R)-2,2-difluorocyclopropyl]methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]butan-1-one;2-(cyclopropylmethoxy)-3-methoxy-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;N-(cyclopropylmethyl)-3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridin-2-amine;5-[[(1R)-2,2-difluorocyclopropyl]methoxy]-2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;N-[5-[(3R)-3-[4-[1-[5-[[(1R)-2,2-difluorocyclopropyl]methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]butanoyl]-4-methyl-1,3-thiazol-2-yl]acetamide;3-fluoro-4-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]-N-propylpyridin-2-amine
CID 160980954
(3R)-1-[2-(but-1-en-2-ylamino)-4-methyl-1,3-thiazol-5-yl]-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]butan-1-one;3-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,1-dimethylurea;N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrrole-3-carboxamide;N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]thiophene-2-carboxamide;methyl N-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]carbamate
CID 162078922

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one (CID 157277051) is 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one is C=C(C)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)cc3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3C)C2)cc1.C=C(C)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)s1.CC(=O)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC(C)(F)F)cc3)C2)cc1.CC(=O)C[C@@H](C)c1ccc(OC2CCN(c3ccc(OCCC(F)F)cc3)C2)cc1.CC1=C(C(=O)C[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)C=CC1.C[C@H](CC(=O)Cc1cccnc1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The InChIKey is AZFOLRFPRKDBPQ-XQRTZDJDSA-N. The full InChI is InChI=1S/C31H37N3O3S.C30H34N2O3.C30H35NO3.C27H35NO2.C26H30F3NO2.2C24H29F2NO3/c1-20(2)32-31-33-22(4)30(38-31)29(35)17-21(3)24-7-11-27(12-8-24)37-28-15-16-34(18-28)25-9-13-26(14-10-25)36-19-23-5-6-23;1-22(17-27(33)18-24-3-2-15-31-19-24)25-6-10-29(11-7-25)35-30-14-16-32(20-30)26-8-12-28(13-9-26)34-21-23-4-5-23;1-21-4-3-5-29(21)30(32)18-22(2)24-8-12-27(13-9-24)34-28-16-17-31(19-28)25-10-14-26(15-11-25)33-20-23-6-7-23;1-19(2)15-20(3)23-7-9-24(10-8-23)30-26-13-14-28(17-26)27-12-11-25(16-21(27)4)29-18-22-5-6-22;1-17(2)12-18(3)19-4-6-21(7-5-19)32-23-10-11-30(15-23)25-9-8-22(13-24(25)27)31-16-20-14-26(20,28)29;1-17(14-18(2)28)19-4-8-22(9-5-19)30-23-12-13-27(15-23)20-6-10-21(11-7-20)29-16-24(3,25)26;1-17(15-18(2)28)19-3-7-22(8-4-19)30-23-11-13-27(16-23)20-5-9-21(10-6-20)29-14-12-24(25)26/h7-14,21,23,28H,1,5-6,15-19H2,2-4H3,(H,32,33);2-3,6-13,15,19,22-23,30H,4-5,14,16-18,20-21H2,1H3;3,5,8-15,22-23,28H,4,6-7,16-20H2,1-2H3;7-12,16,20,22,26H,1,5-6,13-15,17-18H2,2-4H3;4-9,13,18,20,23H,1,10-12,14-16H2,2-3H3;4-11,17,23H,12-16H2,1-3H3;3-10,17,23-24H,11-16H2,1-2H3/t21-,28?;22-,30-;22-,28-;20-,26?;18-,20?,23?;2*17-,23?/m1111111/s1.
What are the key properties of 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one has a molecular weight of 3146.05 g/mol, XLogP of 43.55, 70 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-2-methylphenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(3R)-3-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-(2-methylcyclopenta-1,4-dien-1-yl)butan-1-one;(3R)-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-[4-methyl-2-(prop-1-en-2-ylamino)-1,3-thiazol-5-yl]butan-1-one;(4R)-4-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]-1-pyridin-3-ylpentan-2-one;1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine;(4R)-4-[4-[1-[4-(2,2-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one;(4R)-4-[4-[1-[4-(3,3-difluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one is sourced from PubChem (CID 157277051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).