(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

C135H163N13O16S2 — CID 162078922

IUPAC(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
SMILESC=C(CC)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)s1.COC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)c1cc[nH]c1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)c1cccs1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C32H39N3O3S.C27H31N3O3.C27H30N2O3S.C25H33N3O3.C24H30N2O4/c1-5-22(3)33-32-34-23(4)31(39-32)30(36)18-21(2)25-8-12-28(13-9-25)38-29-16-17-35(19-29)26-10-14-27(15-11-26)37-20-24-6-7-24;1-19(29-27(31)22-12-14-28-16-22)21-4-8-25(9-5-21)33-26-13-15-30(17-26)23-6-10-24(11-7-23)32-18-20-2-3-20;1-19(28-27(30)26-3-2-16-33-26)21-6-10-24(11-7-21)32-25-14-15-29(17-25)22-8-12-23(13-9-22)31-18-20-4-5-20;1-18(26-25(29)27(2)3)20-6-10-23(11-7-20)31-24-14-15-28(16-24)21-8-12-22(13-9-21)30-17-19-4-5-19;1-17(25-24(27)28-2)19-5-9-22(10-6-19)30-23-13-14-26(15-23)20-7-11-21(12-8-20)29-16-18-3-4-18/h8-15,21,24,29H,3,5-7,16-20H2,1-2,4H3,(H,33,34);4-12,14,16,19-20,26,28H,2-3,13,15,17-18H2,1H3,(H,29,31);2-3,6-13,16,19-20,25H,4-5,14-15,17-18H2,1H3,(H,28,30);6-13,18-19,24H,4-5,14-17H2,1-3H3,(H,26,29);5-12,17-18,23H,3-4,13-16H2,1-2H3,(H,25,27)/t21-,29?;19-,26+;19-,25+;18-,24?;17-,23?/m10000/s1
InChIKeyZCBPRSVOLFDWRC-ZGRKODRCSA-N
MW2288.00 g/mol
LogP27.26
Rot. Bonds47

About (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

(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 (PubChem CID 162078922) has the molecular formula C135H163N13O16S2 and a molecular weight of 2288.00 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162078922
Molecular FormulaC135H163N13O16S2
Molecular Weight2288.00 g/mol
Exact Mass2286.18
IUPAC Name(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
SMILESC=C(CC)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)s1.COC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)c1cc[nH]c1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)c1cccs1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1
InChIInChI=1S/C32H39N3O3S.C27H31N3O3.C27H30N2O3S.C25H33N3O3.C24H30N2O4/c1-5-22(3)33-32-34-23(4)31(39-32)30(36)18-21(2)25-8-12-28(13-9-25)38-29-16-17-35(19-29)26-10-14-27(15-11-26)37-20-24-6-7-24;1-19(29-27(31)22-12-14-28-16-22)21-4-8-25(9-5-21)33-26-13-15-30(17-26)23-6-10-24(11-7-23)32-18-20-2-3-20;1-19(28-27(30)26-3-2-16-33-26)21-6-10-24(11-7-21)32-25-14-15-29(17-25)22-8-12-23(13-9-22)31-18-20-4-5-20;1-18(26-25(29)27(2)3)20-6-10-23(11-7-20)31-24-14-15-28(16-24)21-8-12-22(13-9-21)30-17-19-4-5-19;1-17(25-24(27)28-2)19-5-9-22(10-6-19)30-23-13-14-26(15-23)20-7-11-21(12-8-20)29-16-18-3-4-18/h8-15,21,24,29H,3,5-7,16-20H2,1-2,4H3,(H,33,34);4-12,14,16,19-20,26,28H,2-3,13,15,17-18H2,1H3,(H,29,31);2-3,6-13,16,19-20,25H,4-5,14-15,17-18H2,1H3,(H,28,30);6-13,18-19,24H,4-5,14-17H2,1-3H3,(H,26,29);5-12,17-18,23H,3-4,13-16H2,1-2H3,(H,25,27)/t21-,29?;19-,26+;19-,25+;18-,24?;17-,23?/m10000/s1
InChIKeyZCBPRSVOLFDWRC-ZGRKODRCSA-N
XLogP27.26
TPSA295.15 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds47
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002288.00
LogP ≤ 527.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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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
(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
(3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 158266838

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(CC)Nc1nc(C)c(C(=O)C[C@@H](C)c2ccc(OC3CCN(c4ccc(OCC5CC5)cc4)C3)cc2)s1.COC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)c1cc[nH]c1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.C[C@H](NC(=O)c1cccs1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1.
What is the InChIKey of (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?
The InChIKey is ZCBPRSVOLFDWRC-ZGRKODRCSA-N. The full InChI is InChI=1S/C32H39N3O3S.C27H31N3O3.C27H30N2O3S.C25H33N3O3.C24H30N2O4/c1-5-22(3)33-32-34-23(4)31(39-32)30(36)18-21(2)25-8-12-28(13-9-25)38-29-16-17-35(19-29)26-10-14-27(15-11-26)37-20-24-6-7-24;1-19(29-27(31)22-12-14-28-16-22)21-4-8-25(9-5-21)33-26-13-15-30(17-26)23-6-10-24(11-7-23)32-18-20-2-3-20;1-19(28-27(30)26-3-2-16-33-26)21-6-10-24(11-7-21)32-25-14-15-29(17-25)22-8-12-23(13-9-22)31-18-20-4-5-20;1-18(26-25(29)27(2)3)20-6-10-23(11-7-20)31-24-14-15-28(16-24)21-8-12-22(13-9-21)30-17-19-4-5-19;1-17(25-24(27)28-2)19-5-9-22(10-6-19)30-23-13-14-26(15-23)20-7-11-21(12-8-20)29-16-18-3-4-18/h8-15,21,24,29H,3,5-7,16-20H2,1-2,4H3,(H,33,34);4-12,14,16,19-20,26,28H,2-3,13,15,17-18H2,1H3,(H,29,31);2-3,6-13,16,19-20,25H,4-5,14-15,17-18H2,1H3,(H,28,30);6-13,18-19,24H,4-5,14-17H2,1-3H3,(H,26,29);5-12,17-18,23H,3-4,13-16H2,1-2H3,(H,25,27)/t21-,29?;19-,26+;19-,25+;18-,24?;17-,23?/m10000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2288.00 g/mol, XLogP of 27.26, 47 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 162078922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).