(4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane

C81H86BrF3N12O5 — CID 160919178

IUPAC(4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane
SMILESCC.COc1ccc(CN[C@@H]2CC(=O)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)[C@@H]2CC2CC2)cc1.COc1ccc(CN[C@@H]2CC(=O)N[C@@H]2CC2CC2)cc1.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1CC1CC1
InChIInChI=1S/C29H29FN4O2.C21H21FN4O.C16H22N2O2.C13H8BrFN2.C2H6/c1-36-25-11-4-20(5-12-25)17-31-26-16-29(35)33(28(26)14-19-2-3-19)24-10-13-27-21(15-24)18-32-34(27)23-8-6-22(30)7-9-23;22-15-3-5-16(6-4-15)26-19-8-7-17(10-14(19)12-24-26)25-20(9-13-1-2-13)18(23)11-21(25)27;1-20-13-6-4-12(5-7-13)10-17-14-9-16(19)18-15(14)8-11-2-3-11;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-2/h4-13,15,18-19,26,28,31H,2-3,14,16-17H2,1H3;3-8,10,12-13,18,20H,1-2,9,11,23H2;4-7,11,14-15,17H,2-3,8-10H2,1H3,(H,18,19);1-8H;1-2H3/t26-,28-;18-,20-;14-,15-;;/m111../s1
InChIKeySRUNPPAKMQQAQA-DHZBUBLRSA-N
MW1444.56 g/mol
LogP15.43
Rot. Bonds19

About (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane

(4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane (PubChem CID 160919178) has the molecular formula C81H86BrF3N12O5 and a molecular weight of 1444.56 g/mol. Its IUPAC name is (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name(4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane
PubChem CID160919178
Molecular FormulaC81H86BrF3N12O5
Molecular Weight1444.56 g/mol
Exact Mass1442.60
IUPAC Name(4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane
SMILESCC.COc1ccc(CN[C@@H]2CC(=O)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)[C@@H]2CC2CC2)cc1.COc1ccc(CN[C@@H]2CC(=O)N[C@@H]2CC2CC2)cc1.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1CC1CC1
InChIInChI=1S/C29H29FN4O2.C21H21FN4O.C16H22N2O2.C13H8BrFN2.C2H6/c1-36-25-11-4-20(5-12-25)17-31-26-16-29(35)33(28(26)14-19-2-3-19)24-10-13-27-21(15-24)18-32-34(27)23-8-6-22(30)7-9-23;22-15-3-5-16(6-4-15)26-19-8-7-17(10-14(19)12-24-26)25-20(9-13-1-2-13)18(23)11-21(25)27;1-20-13-6-4-12(5-7-13)10-17-14-9-16(19)18-15(14)8-11-2-3-11;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-2/h4-13,15,18-19,26,28,31H,2-3,14,16-17H2,1H3;3-8,10,12-13,18,20H,1-2,9,11,23H2;4-7,11,14-15,17H,2-3,8-10H2,1H3,(H,18,19);1-8H;1-2H3/t26-,28-;18-,20-;14-,15-;;/m111../s1
InChIKeySRUNPPAKMQQAQA-DHZBUBLRSA-N
XLogP15.43
TPSA191.72 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001444.56
LogP ≤ 515.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane with MolForge

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Related Compounds

4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
CID 138684671
N-[(2R,3S)-2-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684660
(4S,5R)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-(methylamino)-5-phenylpyrrolidin-2-one
CID 170105272
(5R)-4-(cyclopropylmethylamino)-1-[1-(4-fluorophenyl)indazol-5-yl]-3,3-dimethyl-5-phenylpyrrolidin-2-one
CID 170105316
N-[(3S)-2-(4-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanesulfonamide
CID 138725429
[(2R,3S,4S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(4-methoxyphenyl)-4-methyl-5-oxopyrrolidin-3-yl] carbamate
CID 175156881
N-[(3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 152859429
(4S)-4-amino-5-phenylpyrrolidin-2-one;1-fluorocyclopropane-1-carboxylic acid;1-fluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-fluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-fluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide;1-(4-fluorophenyl)-5-iodoindazole
CID 165093551
tert-butyl N-[2-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-3-yl]carbamate
CID 155414134
N-[(2S,3S)-2-cyclopropyl-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide
CID 138684522
N-[(2S,3R)-2-(2-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 138684599
N-[(2R,3S)-2-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 138684899

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane?
The IUPAC name of (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane (CID 160919178) is (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane.
What is the SMILES notation for (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane?
The canonical SMILES for (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane is CC.COc1ccc(CN[C@@H]2CC(=O)N(c3ccc4c(cnn4-c4ccc(F)cc4)c3)[C@@H]2CC2CC2)cc1.COc1ccc(CN[C@@H]2CC(=O)N[C@@H]2CC2CC2)cc1.Fc1ccc(-n2ncc3cc(Br)ccc32)cc1.N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1CC1CC1.
What is the InChIKey of (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane?
The InChIKey is SRUNPPAKMQQAQA-DHZBUBLRSA-N. The full InChI is InChI=1S/C29H29FN4O2.C21H21FN4O.C16H22N2O2.C13H8BrFN2.C2H6/c1-36-25-11-4-20(5-12-25)17-31-26-16-29(35)33(28(26)14-19-2-3-19)24-10-13-27-21(15-24)18-32-34(27)23-8-6-22(30)7-9-23;22-15-3-5-16(6-4-15)26-19-8-7-17(10-14(19)12-24-26)25-20(9-13-1-2-13)18(23)11-21(25)27;1-20-13-6-4-12(5-7-13)10-17-14-9-16(19)18-15(14)8-11-2-3-11;14-10-1-6-13-9(7-10)8-16-17(13)12-4-2-11(15)3-5-12;1-2/h4-13,15,18-19,26,28,31H,2-3,14,16-17H2,1H3;3-8,10,12-13,18,20H,1-2,9,11,23H2;4-7,11,14-15,17H,2-3,8-10H2,1H3,(H,18,19);1-8H;1-2H3/t26-,28-;18-,20-;14-,15-;;/m111../s1.
What are the key properties of (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane?
(4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane has a molecular weight of 1444.56 g/mol, XLogP of 15.43, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one;5-bromo-1-(4-fluorophenyl)indazole;(4R,5R)-5-(cyclopropylmethyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;(4R,5R)-5-(cyclopropylmethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidin-2-one;ethane is sourced from PubChem (CID 160919178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).