methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate

C23H29N5O5 — CID 175458583

IUPACmethyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate
SMILESCOC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C23H29N5O5/c1-13(2)8-17(21(29)28-19(23(31)33-4)9-14-11-24-12-25-14)27-22(30)18-10-15-16(26-18)6-5-7-20(15)32-3/h5-7,10-13,17,19,26H,8-9H2,1-4H3,(H,24,25)(H,27,30)(H,28,29)
InChIKeyIQKQNNMBCAXJKW-UHFFFAOYSA-N
MW455.52 g/mol
LogP1.94
Rot. Bonds10

About methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate

methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate (PubChem CID 175458583) has the molecular formula C23H29N5O5 and a molecular weight of 455.52 g/mol. Its IUPAC name is methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate
PubChem CID175458583
Molecular FormulaC23H29N5O5
Molecular Weight455.52 g/mol
Exact Mass455.22
IUPAC Namemethyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate
SMILESCOC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C23H29N5O5/c1-13(2)8-17(21(29)28-19(23(31)33-4)9-14-11-24-12-25-14)27-22(30)18-10-15-16(26-18)6-5-7-20(15)32-3/h5-7,10-13,17,19,26H,8-9H2,1-4H3,(H,24,25)(H,27,30)(H,28,29)
InChIKeyIQKQNNMBCAXJKW-UHFFFAOYSA-N
XLogP1.94
TPSA138.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate with MolForge

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Related Compounds

N-[(2S)-1-[(2-amino-2-oxo-1-pyridin-3-ylethyl)amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162478789
N-[1-[[1-amino-3-(1-methylimidazol-4-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166744988
N-[(2S)-1-[[(1S)-1-cyano-2-pyridin-3-ylethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162396201
methyl (2S)-3-(1H-imidazol-5-yl)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 141093613
N-[1-[[1-amino-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166840713
N-[1-[[1-chloro-6-(dimethylamino)-2,6-dioxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 72989602
N-[(2S)-1-[[1-cyano-2-(2-oxo-1H-pyridin-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 162466407
N-methoxy-2-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-N,N',N'-trimethylpentanediamide
CID 143239747
[(3S)-3-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] 3-methylimidazole-4-carboxylate
CID 156882262
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
methyl (2S)-2-[[(2S)-2-[[2-[(4-ethoxycarbonyloxy-3-methoxybenzoyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate
CID 139602722
N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166133396

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate?
The IUPAC name of methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate (CID 175458583) is methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate?
The canonical SMILES for methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate is COC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1.
What is the InChIKey of methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate?
The InChIKey is IQKQNNMBCAXJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5/c1-13(2)8-17(21(29)28-19(23(31)33-4)9-14-11-24-12-25-14)27-22(30)18-10-15-16(26-18)6-5-7-20(15)32-3/h5-7,10-13,17,19,26H,8-9H2,1-4H3,(H,24,25)(H,27,30)(H,28,29).
What are the key properties of methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate?
methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate has a molecular weight of 455.52 g/mol, XLogP of 1.94, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-imidazol-5-yl)-2-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]propanoate is sourced from PubChem (CID 175458583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).