(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

C157H190F8N16O14S — CID 160980954

IUPAC(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
SMILESC=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4CC4)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCCC)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3OC)C2)cc1.CC(=O)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1.C[C@H](CC(=O)C1=CCC=C1)c1ccc(OC2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1
InChIInChI=1S/C29H32F2N4O4S.C28H30F2N2O3.C26H34N2O3.C25H30F2N2O2.C25H32FN3O.C24H32FN3O/c1-17(12-25(37)27-18(2)33-28(40-27)34-19(3)36)20-4-6-22(7-5-20)39-24-10-11-35(15-24)26-9-8-23(14-32-26)38-16-21-13-29(21,30)31;1-19(14-26(33)21-4-2-3-5-21)20-6-8-23(9-7-20)35-25-12-13-32(17-25)27-11-10-24(16-31-27)34-18-22-15-28(22,29)30;1-18(2)15-19(3)21-7-9-22(10-8-21)31-23-12-14-28(16-23)24-11-13-27-26(25(24)29-4)30-17-20-5-6-20;1-17(2)12-18(3)19-4-6-21(7-5-19)31-23-10-11-29(15-23)24-9-8-22(14-28-24)30-16-20-13-25(20,26)27;1-17(2)14-18(3)20-6-8-21(9-7-20)30-22-11-13-29(16-22)23-10-12-27-25(24(23)26)28-15-19-4-5-19;1-5-12-26-24-23(25)22(10-13-27-24)28-14-11-21(16-28)29-20-8-6-19(7-9-20)18(4)15-17(2)3/h4-9,14,17,21,24H,10-13,15-16H2,1-3H3,(H,33,34,36);2,4-11,16,19,22,25H,3,12-15,17-18H2,1H3;7-11,13,19-20,23H,1,5-6,12,14-17H2,2-4H3;4-9,14,18,20,23H,1,10-13,15-16H2,2-3H3;6-10,12,18-19,22H,1,4-5,11,13-16H2,2-3H3,(H,27,28);6-10,13,18,21H,2,5,11-12,14-16H2,1,3-4H3,(H,26,27)/t17-,21-,24?;19-,22-,25?;19-,23-;18-,20-,23-;18-,22-;18-,21-/m111111/s1
InChIKeySZMVWFCBWHLRMT-FSAWFSHNSA-N
MW2709.40 g/mol
LogP34.58
Rot. Bonds58

About (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

(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 (PubChem CID 160980954) has the molecular formula C157H190F8N16O14S and a molecular weight of 2709.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160980954
Molecular FormulaC157H190F8N16O14S
Molecular Weight2709.40 g/mol
Exact Mass2707.42
IUPAC Name(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
SMILESC=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4CC4)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCCC)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3OC)C2)cc1.CC(=O)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1.C[C@H](CC(=O)C1=CCC=C1)c1ccc(OC2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1
InChIInChI=1S/C29H32F2N4O4S.C28H30F2N2O3.C26H34N2O3.C25H30F2N2O2.C25H32FN3O.C24H32FN3O/c1-17(12-25(37)27-18(2)33-28(40-27)34-19(3)36)20-4-6-22(7-5-20)39-24-10-11-35(15-24)26-9-8-23(14-32-26)38-16-21-13-29(21,30)31;1-19(14-26(33)21-4-2-3-5-21)20-6-8-23(9-7-20)35-25-12-13-32(17-25)27-11-10-24(16-31-27)34-18-22-15-28(22,29)30;1-18(2)15-19(3)21-7-9-22(10-8-21)31-23-12-14-28(16-23)24-11-13-27-26(25(24)29-4)30-17-20-5-6-20;1-17(2)12-18(3)19-4-6-21(7-5-19)31-23-10-11-29(15-23)24-9-8-22(14-28-24)30-16-20-13-25(20,26)27;1-17(2)14-18(3)20-6-8-21(9-7-20)30-22-11-13-29(16-22)23-10-12-27-25(24(23)26)28-15-19-4-5-19;1-5-12-26-24-23(25)22(10-13-27-24)28-14-11-21(16-28)29-20-8-6-19(7-9-20)18(4)15-17(2)3/h4-9,14,17,21,24H,10-13,15-16H2,1-3H3,(H,33,34,36);2,4-11,16,19,22,25H,3,12-15,17-18H2,1H3;7-11,13,19-20,23H,1,5-6,12,14-17H2,2-4H3;4-9,14,18,20,23H,1,10-13,15-16H2,2-3H3;6-10,12,18-19,22H,1,4-5,11,13-16H2,2-3H3,(H,27,28);6-10,13,18,21H,2,5,11-12,14-16H2,1,3-4H3,(H,26,27)/t17-,21-,24?;19-,22-,25?;19-,23-;18-,20-,23-;18-,22-;18-,21-/m111111/s1
InChIKeySZMVWFCBWHLRMT-FSAWFSHNSA-N
XLogP34.58
TPSA298.50 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds58
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002709.40
LogP ≤ 534.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
4-(cyclopropylmethoxy)-5-fluoro-6-[3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyrimidine;N-[5-[(3R)-3-[4-[1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]butanoyl]-4-methyl-1,3-thiazol-2-yl]acetamide;(3R)-3-[4-[1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N,N-dimethylbutanamide;(3R)-3-[4-[1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-1-(1,3-oxazol-5-yl)butan-1-one;5-[(2,2-difluorocyclopropyl)methoxy]-2-[3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyridine;(3R)-3-[4-[1-[2-[2,2-difluoroethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N,N-dimethylbutanamide;methyl (3R)-3-[4-[1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]butanoate
CID 158568938
(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
CID 160117279
CID 160117279
4-(cyclopropylmethoxy)-5-fluoro-6-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyrimidine;N-[5-[(3R)-3-[4-[1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]butanoyl]-4-methyl-1,3-thiazol-2-yl]acetamide;(3R)-3-[4-[1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N,N-dimethylbutanamide;(3R)-3-[4-[1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-1-(1,3-oxazol-5-yl)butan-1-one;5-[(2,2-difluorocyclopropyl)methoxy]-2-[(3R)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidin-1-yl]pyrimidine;(3R)-3-[4-[1-[2-[2,2-difluoroethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]-N,N-dimethylbutanamide;methyl (3R)-3-[4-[1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]butanoate
CID 161028447

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4CC4)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCCC)c3F)C2)cc1.C=C(C)C[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCC4CC4)c3OC)C2)cc1.CC(=O)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1.C[C@H](CC(=O)C1=CCC=C1)c1ccc(OC2CCN(c3ccc(OC[C@H]4CC4(F)F)cn3)C2)cc1.
What is the InChIKey of (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?
The InChIKey is SZMVWFCBWHLRMT-FSAWFSHNSA-N. The full InChI is InChI=1S/C29H32F2N4O4S.C28H30F2N2O3.C26H34N2O3.C25H30F2N2O2.C25H32FN3O.C24H32FN3O/c1-17(12-25(37)27-18(2)33-28(40-27)34-19(3)36)20-4-6-22(7-5-20)39-24-10-11-35(15-24)26-9-8-23(14-32-26)38-16-21-13-29(21,30)31;1-19(14-26(33)21-4-2-3-5-21)20-6-8-23(9-7-20)35-25-12-13-32(17-25)27-11-10-24(16-31-27)34-18-22-15-28(22,29)30;1-18(2)15-19(3)21-7-9-22(10-8-21)31-23-12-14-28(16-23)24-11-13-27-26(25(24)29-4)30-17-20-5-6-20;1-17(2)12-18(3)19-4-6-21(7-5-19)31-23-10-11-29(15-23)24-9-8-22(14-28-24)30-16-20-13-25(20,26)27;1-17(2)14-18(3)20-6-8-21(9-7-20)30-22-11-13-29(16-22)23-10-12-27-25(24(23)26)28-15-19-4-5-19;1-5-12-26-24-23(25)22(10-13-27-24)28-14-11-21(16-28)29-20-8-6-19(7-9-20)18(4)15-17(2)3/h4-9,14,17,21,24H,10-13,15-16H2,1-3H3,(H,33,34,36);2,4-11,16,19,22,25H,3,12-15,17-18H2,1H3;7-11,13,19-20,23H,1,5-6,12,14-17H2,2-4H3;4-9,14,18,20,23H,1,10-13,15-16H2,2-3H3;6-10,12,18-19,22H,1,4-5,11,13-16H2,2-3H3,(H,27,28);6-10,13,18,21H,2,5,11-12,14-16H2,1,3-4H3,(H,26,27)/t17-,21-,24?;19-,22-,25?;19-,23-;18-,20-,23-;18-,22-;18-,21-/m111111/s1.
What are the key properties of (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?
(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 has a molecular weight of 2709.40 g/mol, XLogP of 34.58, 58 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160980954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).