propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate

C22H26N6O4 — CID 168974407

IUPACpropyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate
SMILESCCCOC(=O)n1cc(NC(=O)CCNC(=O)c2cccc(-c3cnn(C)c3)c2)nc1C
InChIInChI=1S/C22H26N6O4/c1-4-10-32-22(31)28-14-19(25-15(28)2)26-20(29)8-9-23-21(30)17-7-5-6-16(11-17)18-12-24-27(3)13-18/h5-7,11-14H,4,8-10H2,1-3H3,(H,23,30)(H,26,29)
InChIKeyMQIWDXSJVFXPIG-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.75
Rot. Bonds8

About propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate

propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate (PubChem CID 168974407) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate.

Molecular Properties

Compound Namepropyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate
PubChem CID168974407
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Namepropyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate
SMILESCCCOC(=O)n1cc(NC(=O)CCNC(=O)c2cccc(-c3cnn(C)c3)c2)nc1C
InChIInChI=1S/C22H26N6O4/c1-4-10-32-22(31)28-14-19(25-15(28)2)26-20(29)8-9-23-21(30)17-7-5-6-16(11-17)18-12-24-27(3)13-18/h5-7,11-14H,4,8-10H2,1-3H3,(H,23,30)(H,26,29)
InChIKeyMQIWDXSJVFXPIG-UHFFFAOYSA-N
XLogP2.75
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[(2S)-2-hydroxy-3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoyl]amino]-2-methylimidazole-1-carboxylate
CID 168974654
3-methyl-N-[3-[(1-methylpyrazol-4-yl)amino]-3-oxopropyl]benzamide
CID 31921008
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 90740732
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
acetonitrile;tert-butyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate;3-(1-methylpyrazol-4-yl)-N-(methylsulfanylmethyl)benzamide
CID 168974191
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 119073913
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
CID 110479939
N-methylpropan-1-amine;propyl 4-methyl-2-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]-1,3-thiazole-5-carboxylate
CID 168974367
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397

Frequently Asked Questions

What is the IUPAC name of propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate?
The IUPAC name of propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate (CID 168974407) is propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate.
What is the SMILES notation for propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate?
The canonical SMILES for propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate is CCCOC(=O)n1cc(NC(=O)CCNC(=O)c2cccc(-c3cnn(C)c3)c2)nc1C.
What is the InChIKey of propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate?
The InChIKey is MQIWDXSJVFXPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-4-10-32-22(31)28-14-19(25-15(28)2)26-20(29)8-9-23-21(30)17-7-5-6-16(11-17)18-12-24-27(3)13-18/h5-7,11-14H,4,8-10H2,1-3H3,(H,23,30)(H,26,29).
What are the key properties of propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate?
propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate has a molecular weight of 438.49 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-methyl-4-[3-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]propanoylamino]imidazole-1-carboxylate is sourced from PubChem (CID 168974407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).