(2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid

C22H23N7O5 — CID 175075490

IUPAC(2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)O)n(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C22H23N7O5/c1-34-14-8-9-25-16(11-14)26-21(31)13-6-4-12(5-7-13)17-18(19(23)30)29(24)20(27-17)15-3-2-10-28(15)22(32)33/h4-9,11,15H,2-3,10,24H2,1H3,(H2,23,30)(H,32,33)(H,25,26,31)/t15-/m0/s1
InChIKeyFTCSDUUDZAEBPQ-HNNXBMFYSA-N
MW465.47 g/mol
LogP1.83
Rot. Bonds6

About (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid

(2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 175075490) has the molecular formula C22H23N7O5 and a molecular weight of 465.47 g/mol. Its IUPAC name is (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID175075490
Molecular FormulaC22H23N7O5
Molecular Weight465.47 g/mol
Exact Mass465.18
IUPAC Name(2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)O)n(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C22H23N7O5/c1-34-14-8-9-25-16(11-14)26-21(31)13-6-4-12(5-7-13)17-18(19(23)30)29(24)20(27-17)15-3-2-10-28(15)22(32)33/h4-9,11,15H,2-3,10,24H2,1H3,(H2,23,30)(H,32,33)(H,25,26,31)/t15-/m0/s1
InChIKeyFTCSDUUDZAEBPQ-HNNXBMFYSA-N
XLogP1.83
TPSA178.69 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid 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

3-amino-2-(1-but-2-ynoylpyrrolidin-2-yl)-5-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 155307428
3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 155307273
(2S)-2-[1-amino-4-[4-[(4-bromo-2-pyridinyl)carbamoyl]phenyl]-5-carbamoylimidazol-2-yl]piperidine-1-carboxylic acid
CID 175072796
3-amino-5-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]imidazole-4-carboxylic acid
CID 175078408
tert-butyl 2-[1-amino-5-carbamoyl-4-[4-[(4-fluoro-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 155307510
(2S)-2-[1-amino-5-carbamoyl-4-[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]piperidine-1-carboxylic acid
CID 175438185
3-amino-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazole-4-carboxylic acid;tert-butyl (2S)-2-[1-amino-5-carbamoyl-4-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 167631879
2-[1-amino-5-ethoxycarbonyl-4-[4-[(4-ethyl-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]azepane-1-carboxylic acid
CID 175080899
3-amino-5-[4-[(4-propan-2-yl-2-pyridinyl)carbamoyl]phenyl]-2-[(2S)-1-prop-2-enoylpyrrolidin-2-yl]imidazole-4-carboxamide
CID 155286825
3-amino-2-[1-(2-fluoroprop-2-enoyl)piperidin-2-yl]-5-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]imidazole-4-carboxamide
CID 155307455
3-amino-2-(1-but-2-ynoylpyrrolidin-2-yl)-5-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazole-4-carboxamide
CID 155307208
3-amino-5-[4-[(4-bromo-2-pyridinyl)carbamoyl]phenyl]-2-(1-but-2-ynoylpiperidin-2-yl)imidazole-4-carboxamide
CID 155307300

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid (CID 175075490) is (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid is COc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)O)n(N)c3C(N)=O)cc2)c1.
What is the InChIKey of (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is FTCSDUUDZAEBPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N7O5/c1-34-14-8-9-25-16(11-14)26-21(31)13-6-4-12(5-7-13)17-18(19(23)30)29(24)20(27-17)15-3-2-10-28(15)22(32)33/h4-9,11,15H,2-3,10,24H2,1H3,(H2,23,30)(H,32,33)(H,25,26,31)/t15-/m0/s1.
What are the key properties of (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid?
(2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 465.47 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-amino-5-carbamoyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]imidazol-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175075490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).