(2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide

C72H75FN8O8 — CID 160752797

IUPAC(2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2[nH]c3ccc(CC(=O)[C@@H]4CCCN4C(=O)[C@H](C)c4ccccc4)cc3c2F)cc1.CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cc3cc(CC(=O)[C@@H]4CCCN4C(=O)[C@H](C)c4ccccc4)ccc3[nH]2)cc1
InChIInChI=1S/C36H37FN4O4.C36H38N4O4/c1-22(25-8-4-3-5-9-25)36(45)41-19-6-10-30(41)32(43)21-24-12-17-29-28(20-24)33(37)34(39-29)26-13-15-27(16-14-26)38-35(44)31-11-7-18-40(31)23(2)42;1-23(26-8-4-3-5-9-26)36(44)40-19-6-10-32(40)34(42)21-25-12-17-30-28(20-25)22-31(38-30)27-13-15-29(16-14-27)37-35(43)33-11-7-18-39(33)24(2)41/h3-5,8-9,12-17,20,22,30-31,39H,6-7,10-11,18-19,21H2,1-2H3,(H,38,44);3-5,8-9,12-17,20,22-23,32-33,38H,6-7,10-11,18-19,21H2,1-2H3,(H,37,43)/t22-,30+,31+;23-,32+,33+/m11/s1
InChIKeyRXAWAMPDDLOFSN-ASHMCCQMSA-N
MW1199.44 g/mol
LogP11.52
Rot. Bonds16

About (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 160752797) has the molecular formula C72H75FN8O8 and a molecular weight of 1199.44 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
PubChem CID160752797
Molecular FormulaC72H75FN8O8
Molecular Weight1199.44 g/mol
Exact Mass1198.57
IUPAC Name(2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2[nH]c3ccc(CC(=O)[C@@H]4CCCN4C(=O)[C@H](C)c4ccccc4)cc3c2F)cc1.CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cc3cc(CC(=O)[C@@H]4CCCN4C(=O)[C@H](C)c4ccccc4)ccc3[nH]2)cc1
InChIInChI=1S/C36H37FN4O4.C36H38N4O4/c1-22(25-8-4-3-5-9-25)36(45)41-19-6-10-30(41)32(43)21-24-12-17-29-28(20-24)33(37)34(39-29)26-13-15-27(16-14-26)38-35(44)31-11-7-18-40(31)23(2)42;1-23(26-8-4-3-5-9-26)36(44)40-19-6-10-32(40)34(42)21-25-12-17-30-28(20-25)22-31(38-30)27-13-15-29(16-14-27)37-35(43)33-11-7-18-39(33)24(2)41/h3-5,8-9,12-17,20,22,30-31,39H,6-7,10-11,18-19,21H2,1-2H3,(H,38,44);3-5,8-9,12-17,20,22-23,32-33,38H,6-7,10-11,18-19,21H2,1-2H3,(H,37,43)/t22-,30+,31+;23-,32+,33+/m11/s1
InChIKeyRXAWAMPDDLOFSN-ASHMCCQMSA-N
XLogP11.52
TPSA205.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.44
LogP ≤ 511.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[(2S)-2-[2-[2-(4-aminophenyl)-1H-indol-5-yl]acetyl]pyrrolidin-1-yl]-2-phenylpropan-1-one;methane;(2S)-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide;(2S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 159932625
methyl (3S)-3-[(2S)-2-[2-[3-fluoro-2-[4-[[(2S)-1-[(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]-1H-indol-5-yl]acetyl]pyrrolidine-1-carbonyl]-4-methylpentanoate
CID 148585204
(2S)-1-[(2R)-2-(dimethylamino)-4-methylpentanoyl]-N-[4-[5-[2-[(2S)-1-[(2R)-2-(methylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 158076088
tert-butyl (3R)-4-[(2S)-2-[2-[2-(4-acetamidophenyl)-3-fluoro-1H-indol-5-yl]acetyl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate
CID 160876837
(2S)-1-[(2S)-2-(3,3-dimethylbutanoylamino)-2-phenylacetyl]-N-[4-[5-[[(2S)-1-[(2S)-2-(3,3-dimethylbutanoylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-3-fluoro-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 66833092
(2S)-1-(2,3-diphenylpropanoyl)-N-[4-[5-[[1-[(2S)-2,3-diphenylpropanoyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 66833720
(2S)-1-[(2R)-2-(3-methylbutanoylamino)-2-phenylacetyl]-N-[4-[5-[[1-[(2S)-2-(3-methylbutanoylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 66697414
tert-butyl (3R)-4-[(2S)-2-[[4-[5-[2-[(2S)-1-[(2R)-2-(ethoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-1H-indol-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methane
CID 162129618
[(1R)-2-[(2S)-2-[[2-(4-acetamidophenyl)-1H-indol-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-propan-2-ylcarbamic acid
CID 66833048
benzyl (2S)-2-[2-[3-phenyl-2-[4-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]-1H-indol-5-yl]acetyl]pyrrolidine-1-carboxylate
CID 153106684
tert-butyl N-[(1R)-2-[(2S)-2-[[2-[4-[[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1H-indol-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 118348638
[2-[(2S)-2-[[4-[5-[[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamic acid
CID 138592241

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide (CID 160752797) is (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2[nH]c3ccc(CC(=O)[C@@H]4CCCN4C(=O)[C@H](C)c4ccccc4)cc3c2F)cc1.CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cc3cc(CC(=O)[C@@H]4CCCN4C(=O)[C@H](C)c4ccccc4)ccc3[nH]2)cc1.
What is the InChIKey of (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is RXAWAMPDDLOFSN-ASHMCCQMSA-N. The full InChI is InChI=1S/C36H37FN4O4.C36H38N4O4/c1-22(25-8-4-3-5-9-25)36(45)41-19-6-10-30(41)32(43)21-24-12-17-29-28(20-24)33(37)34(39-29)26-13-15-27(16-14-26)38-35(44)31-11-7-18-40(31)23(2)42;1-23(26-8-4-3-5-9-26)36(44)40-19-6-10-32(40)34(42)21-25-12-17-30-28(20-25)22-31(38-30)27-13-15-29(16-14-27)37-35(43)33-11-7-18-39(33)24(2)41/h3-5,8-9,12-17,20,22,30-31,39H,6-7,10-11,18-19,21H2,1-2H3,(H,38,44);3-5,8-9,12-17,20,22-23,32-33,38H,6-7,10-11,18-19,21H2,1-2H3,(H,37,43)/t22-,30+,31+;23-,32+,33+/m11/s1.
What are the key properties of (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 1199.44 g/mol, XLogP of 11.52, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[4-[3-fluoro-5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-acetyl-N-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 160752797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).