(2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

C26H28N6O4 — CID 171395621

IUPAC(2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)Nc2ccc3ccccc3c2)N1
InChIInChI=1S/C26H28N6O4/c33-23-10-9-20(30-23)24(34)31-21(13-19-14-27-15-28-19)26(36)32-11-3-6-22(32)25(35)29-18-8-7-16-4-1-2-5-17(16)12-18/h1-2,4-5,7-8,12,14-15,20-22H,3,6,9-11,13H2,(H,27,28)(H,29,35)(H,30,33)(H,31,34)/t20-,21+,22-/m0/s1
InChIKeySFXFXCFKKPUNMP-BDTNDASRSA-N
MW488.55 g/mol
LogP1.50
Rot. Bonds7

About (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 171395621) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID171395621
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name(2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)Nc2ccc3ccccc3c2)N1
InChIInChI=1S/C26H28N6O4/c33-23-10-9-20(30-23)24(34)31-21(13-19-14-27-15-28-19)26(36)32-11-3-6-22(32)25(35)29-18-8-7-16-4-1-2-5-17(16)12-18/h1-2,4-5,7-8,12,14-15,20-22H,3,6,9-11,13H2,(H,27,28)(H,29,35)(H,30,33)(H,31,34)/t20-,21+,22-/m0/s1
InChIKeySFXFXCFKKPUNMP-BDTNDASRSA-N
XLogP1.50
TPSA136.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-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)-3-(1H-imidazol-5-yl)-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 129359877
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 11902898
acetic acid;(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 69031038
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-3,4-ditritiopyrrolidine-2-carboxamide
CID 54479081
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 7039229
(4R)-3-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-1,3-thiazolidine-4-carboxamide
CID 71443944
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 71555665
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methyl-5-oxopyrrolidine-2-carboxamide
CID 54091495
N-[4-amino-1-[2-[(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 59096165
1-benzyl-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide;hydrate
CID 21155358
N-[4-amino-1,4-dioxo-1-[2-[(6-oxobenzo[c]chromen-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 10119382
1-[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 18490413

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 171395621) is (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(=O)Nc2ccc3ccccc3c2)N1.
What is the InChIKey of (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is SFXFXCFKKPUNMP-BDTNDASRSA-N. The full InChI is InChI=1S/C26H28N6O4/c33-23-10-9-20(30-23)24(34)31-21(13-19-14-27-15-28-19)26(36)32-11-3-6-22(32)25(35)29-18-8-7-16-4-1-2-5-17(16)12-18/h1-2,4-5,7-8,12,14-15,20-22H,3,6,9-11,13H2,(H,27,28)(H,29,35)(H,30,33)(H,31,34)/t20-,21+,22-/m0/s1.
What are the key properties of (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 1.50, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-3-(1H-imidazol-5-yl)-1-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 171395621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).