(1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate

C130H167F5N20O16 — CID 157215698

IUPAC(1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate
SMILESN[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1.O.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)C1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)[C@@H]1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)[C@H]1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](OC(=O)C1CCN(c2ccc(F)cc2)C1)c1ccc(OC2CC2)nc1)C1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C37H43F2N5O4.3C26H33FN4O3.C15H23N3O2.H2O/c38-28-4-8-30(9-5-28)43-19-15-26(22-43)36(45)41-33(24-42-17-1-2-18-42)35(25-3-14-34(40-21-25)47-32-12-13-32)48-37(46)27-16-20-44(23-27)31-10-6-29(39)7-11-31;3*27-20-4-6-21(7-5-20)31-14-11-19(16-31)26(33)29-23(17-30-12-1-2-13-30)25(32)18-3-10-24(28-15-18)34-22-8-9-22;16-13(10-18-7-1-2-8-18)15(19)11-3-6-14(17-9-11)20-12-4-5-12;/h3-11,14,21,26-27,32-33,35H,1-2,12-13,15-20,22-24H2,(H,41,45);3*3-7,10,15,19,22-23,25,32H,1-2,8-9,11-14,16-17H2,(H,29,33);3,6,9,12-13,15,19H,1-2,4-5,7-8,10,16H2;1H2/t26?,27?,33-,35-;19?,23-,25-;19-,23+,25+;19-,23-,25-;13-,15-;/m11011./s1
InChIKeyCTCRGMSPOSYDFV-VIGMYZNFSA-N
MW2360.88 g/mol
LogP14.08
Rot. Bonds45

About (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate

(1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate (PubChem CID 157215698) has the molecular formula C130H167F5N20O16 and a molecular weight of 2360.88 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate
PubChem CID157215698
Molecular FormulaC130H167F5N20O16
Molecular Weight2360.88 g/mol
Exact Mass2359.28
IUPAC Name(1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate
SMILESN[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1.O.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)C1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)[C@@H]1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)[C@H]1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](OC(=O)C1CCN(c2ccc(F)cc2)C1)c1ccc(OC2CC2)nc1)C1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C37H43F2N5O4.3C26H33FN4O3.C15H23N3O2.H2O/c38-28-4-8-30(9-5-28)43-19-15-26(22-43)36(45)41-33(24-42-17-1-2-18-42)35(25-3-14-34(40-21-25)47-32-12-13-32)48-37(46)27-16-20-44(23-27)31-10-6-29(39)7-11-31;3*27-20-4-6-21(7-5-20)31-14-11-19(16-31)26(33)29-23(17-30-12-1-2-13-30)25(32)18-3-10-24(28-15-18)34-22-8-9-22;16-13(10-18-7-1-2-8-18)15(19)11-3-6-14(17-9-11)20-12-4-5-12;/h3-11,14,21,26-27,32-33,35H,1-2,12-13,15-20,22-24H2,(H,41,45);3*3-7,10,15,19,22-23,25,32H,1-2,8-9,11-14,16-17H2,(H,29,33);3,6,9,12-13,15,19H,1-2,4-5,7-8,10,16H2;1H2/t26?,27?,33-,35-;19?,23-,25-;19-,23+,25+;19-,23-,25-;13-,15-;/m11011./s1
InChIKeyCTCRGMSPOSYDFV-VIGMYZNFSA-N
XLogP14.08
TPSA424.14 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds45
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002360.88
LogP ≤ 514.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate with MolForge

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Launch Full Analysis

Related Compounds

[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate
CID 118058251
[1-(6-Cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate
CID 123648080
[(1R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate
CID 134288429
(2R)-2-amino-3-pyrrolidin-1-yl-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propan-2-yl]pyrrolidine-3-carboxamide;1-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;methane
CID 159092361
(2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;methane
CID 160641302
(2R)-2-amino-3-pyrrolidin-1-yl-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propan-1-ol;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propan-2-yl]pyrrolidine-3-carboxamide;1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;methane
CID 160679595
4-bromo-2-cyclopropyloxypyridine;4-bromo-2-fluoropyridine;1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(2-cyclopropyloxy-4-pyridinyl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(2-cyclopropyloxy-4-pyridinyl)pyrrolidine-3-carboxylic acid;methane
CID 157095636
(2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane
CID 158112693
(1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane
CID 158662279
(2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane
CID 158662280
(1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane
CID 158668137
(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
CID 158755799

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate?
The IUPAC name of (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate (CID 157215698) is (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate.
What is the SMILES notation for (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate?
The canonical SMILES for (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate is N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1.O.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)C1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)[C@@H]1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)nc1)[C@H]1CCN(c2ccc(F)cc2)C1.O=C(N[C@H](CN1CCCC1)[C@H](OC(=O)C1CCN(c2ccc(F)cc2)C1)c1ccc(OC2CC2)nc1)C1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate?
The InChIKey is CTCRGMSPOSYDFV-VIGMYZNFSA-N. The full InChI is InChI=1S/C37H43F2N5O4.3C26H33FN4O3.C15H23N3O2.H2O/c38-28-4-8-30(9-5-28)43-19-15-26(22-43)36(45)41-33(24-42-17-1-2-18-42)35(25-3-14-34(40-21-25)47-32-12-13-32)48-37(46)27-16-20-44(23-27)31-10-6-29(39)7-11-31;3*27-20-4-6-21(7-5-20)31-14-11-19(16-31)26(33)29-23(17-30-12-1-2-13-30)25(32)18-3-10-24(28-15-18)34-22-8-9-22;16-13(10-18-7-1-2-8-18)15(19)11-3-6-14(17-9-11)20-12-4-5-12;/h3-11,14,21,26-27,32-33,35H,1-2,12-13,15-20,22-24H2,(H,41,45);3*3-7,10,15,19,22-23,25,32H,1-2,8-9,11-14,16-17H2,(H,29,33);3,6,9,12-13,15,19H,1-2,4-5,7-8,10,16H2;1H2/t26?,27?,33-,35-;19?,23-,25-;19-,23+,25+;19-,23-,25-;13-,15-;/m11011./s1.
What are the key properties of (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate?
(1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate has a molecular weight of 2360.88 g/mol, XLogP of 14.08, 45 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(6-cyclopropyloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-2-[[1-(4-fluorophenyl)pyrrolidine-3-carbonyl]amino]-3-pyrrolidin-1-ylpropyl] 1-(4-fluorophenyl)pyrrolidine-3-carboxylate;N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(6-cyclopropyloxy-3-pyridinyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide;hydrate is sourced from PubChem (CID 157215698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).