sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride

C103H140Br3ClF4N11NaO21P2 — CID 165034106

IUPACsodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride
SMILESBrBr.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(Br)CCC3CC3)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(O)CCC3CC3)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@H]1CN[C@@H](C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)C1.Cl.O=CO[O-].O=c1cccc[nH]1.[3H]PP.[Na+]
InChIInChI=1S/C28H36FN3O5.C23H32BrFN2O4.C23H28FN3O3.C23H33FN2O5.C5H5NO.CH2O3.Br2.ClH.Na.H4P2/c1-28(2,3)37-27(35)32-17-20(36-4)16-24(32)26(34)30-22-15-19(11-12-21(22)29)23(13-10-18-8-9-18)31-14-6-5-7-25(31)33;1-23(2,3)31-22(29)27-13-16(30-4)12-20(27)21(28)26-19-11-15(8-10-18(19)25)17(24)9-7-14-5-6-14;1-30-17-13-20(25-14-17)23(29)26-19-12-16(8-9-18(19)24)21(10-7-15-5-6-15)27-11-3-2-4-22(27)28;1-23(2,3)31-22(29)26-13-16(30-4)12-19(26)21(28)25-18-11-15(8-9-17(18)24)20(27)10-7-14-5-6-14;7-5-3-1-2-4-6-5;2-1-4-3;1-2;;;1-2/h5-7,11-12,14-15,18,20,23-24H,8-10,13,16-17H2,1-4H3,(H,30,34);8,10-11,14,16-17,20H,5-7,9,12-13H2,1-4H3,(H,26,28);2-4,8-9,11-12,15,17,20-21,25H,5-7,10,13-14H2,1H3,(H,26,29);8-9,11,14,16,19-20,27H,5-7,10,12-13H2,1-4H3,(H,25,28);1-4H,(H,6,7);1,3H;;1H;;1-2H2/q;;;;;;;;+1;/p-1/t20-,23?,24-;16-,17?,20-;17-,20-,21?;16-,19-,20?;;;;;;/m1111....../s1/i;;;;;;;;;1T
InChIKeyVODFWVOEKJPWNK-CPZGRVEGSA-M
MW2306.41 g/mol
LogP15.82
Rot. Bonds31

About sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride

sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride (PubChem CID 165034106) has the molecular formula C103H140Br3ClF4N11NaO21P2 and a molecular weight of 2306.41 g/mol. Its IUPAC name is sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Namesodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride
PubChem CID165034106
Molecular FormulaC103H140Br3ClF4N11NaO21P2
Molecular Weight2306.41 g/mol
Exact Mass2301.69
IUPAC Namesodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride
SMILESBrBr.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(Br)CCC3CC3)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(O)CCC3CC3)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@H]1CN[C@@H](C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)C1.Cl.O=CO[O-].O=c1cccc[nH]1.[3H]PP.[Na+]
InChIInChI=1S/C28H36FN3O5.C23H32BrFN2O4.C23H28FN3O3.C23H33FN2O5.C5H5NO.CH2O3.Br2.ClH.Na.H4P2/c1-28(2,3)37-27(35)32-17-20(36-4)16-24(32)26(34)30-22-15-19(11-12-21(22)29)23(13-10-18-8-9-18)31-14-6-5-7-25(31)33;1-23(2,3)31-22(29)27-13-16(30-4)12-20(27)21(28)26-19-11-15(8-10-18(19)25)17(24)9-7-14-5-6-14;1-30-17-13-20(25-14-17)23(29)26-19-12-16(8-9-18(19)24)21(10-7-15-5-6-15)27-11-3-2-4-22(27)28;1-23(2,3)31-22(29)26-13-16(30-4)12-19(26)21(28)25-18-11-15(8-9-17(18)24)20(27)10-7-14-5-6-14;7-5-3-1-2-4-6-5;2-1-4-3;1-2;;;1-2/h5-7,11-12,14-15,18,20,23-24H,8-10,13,16-17H2,1-4H3,(H,30,34);8,10-11,14,16-17,20H,5-7,9,12-13H2,1-4H3,(H,26,28);2-4,8-9,11-12,15,17,20-21,25H,5-7,10,13-14H2,1H3,(H,26,29);8-9,11,14,16,19-20,27H,5-7,10,12-13H2,1-4H3,(H,25,28);1-4H,(H,6,7);1,3H;;1H;;1-2H2/q;;;;;;;;+1;/p-1/t20-,23?,24-;16-,17?,20-;17-,20-,21?;16-,19-,20?;;;;;;/m1111....../s1/i;;;;;;;;;1T
InChIKeyVODFWVOEKJPWNK-CPZGRVEGSA-M
XLogP15.82
TPSA400.42 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.41
LogP ≤ 515.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride with MolForge

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Related Compounds

2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid
CID 174185412
sodium;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-4-methylpyrrolidine-2-carboxamide;tert-butyl (2R,4R)-2-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]carbamoyl]-4-methylpyrrolidine-1-carboxylate;(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate;hydrochloride
CID 160506578
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
(2R,4R)-N-[5-[1-(tert-butylsulfinylamino)-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide
CID 167135959
N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide
CID 118363196
CID 175736907
CID 175736907
(2R,4R)-2-[[5-[1-(tert-butylsulfinylamino)-3-cyclopropyl-1-pyridin-2-ylpropyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid
CID 137359555
sodium;(2R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4,4-difluoropyrrolidine-1,2-dicarboxamide;(2R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-4,4-difluoropyrrolidine-2-carboxamide;tert-butyl (2R)-2-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]carbamoyl]-4,4-difluoropyrrolidine-1-carboxylate;(2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate;hydrochloride
CID 161414168
tert-butyl (2S,4R)-2-[(2-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 41373933
tert-butyl (4S)-4-amino-2-[[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 70966238
(2R,4R)-2-N-[5-[1-(tert-butylsulfinylamino)-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 146383520
tert-butyl 1-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-2-oxopyridine-3-carboxylate
CID 68807414

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride?
The IUPAC name of sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride (CID 165034106) is sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride?
The canonical SMILES for sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride is BrBr.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(Br)CCC3CC3)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(O)CCC3CC3)ccc2F)N(C(=O)OC(C)(C)C)C1.CO[C@H]1CN[C@@H](C(=O)Nc2cc(C(CCC3CC3)n3ccccc3=O)ccc2F)C1.Cl.O=CO[O-].O=c1cccc[nH]1.[3H]PP.[Na+].
What is the InChIKey of sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride?
The InChIKey is VODFWVOEKJPWNK-CPZGRVEGSA-M. The full InChI is InChI=1S/C28H36FN3O5.C23H32BrFN2O4.C23H28FN3O3.C23H33FN2O5.C5H5NO.CH2O3.Br2.ClH.Na.H4P2/c1-28(2,3)37-27(35)32-17-20(36-4)16-24(32)26(34)30-22-15-19(11-12-21(22)29)23(13-10-18-8-9-18)31-14-6-5-7-25(31)33;1-23(2,3)31-22(29)27-13-16(30-4)12-20(27)21(28)26-19-11-15(8-10-18(19)25)17(24)9-7-14-5-6-14;1-30-17-13-20(25-14-17)23(29)26-19-12-16(8-9-18(19)24)21(10-7-15-5-6-15)27-11-3-2-4-22(27)28;1-23(2,3)31-22(29)26-13-16(30-4)12-19(26)21(28)25-18-11-15(8-9-17(18)24)20(27)10-7-14-5-6-14;7-5-3-1-2-4-6-5;2-1-4-3;1-2;;;1-2/h5-7,11-12,14-15,18,20,23-24H,8-10,13,16-17H2,1-4H3,(H,30,34);8,10-11,14,16-17,20H,5-7,9,12-13H2,1-4H3,(H,26,28);2-4,8-9,11-12,15,17,20-21,25H,5-7,10,13-14H2,1H3,(H,26,29);8-9,11,14,16,19-20,27H,5-7,10,12-13H2,1-4H3,(H,25,28);1-4H,(H,6,7);1,3H;;1H;;1-2H2/q;;;;;;;;+1;/p-1/t20-,23?,24-;16-,17?,20-;17-,20-,21?;16-,19-,20?;;;;;;/m1111....../s1/i;;;;;;;;;1T.
What are the key properties of sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride?
sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride has a molecular weight of 2306.41 g/mol, XLogP of 15.82, 31 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 165034106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).