methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate

C19H21N3O3 — CID 154794746

IUPACmethyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)C1CCn2c(cnc2-c2ccccc2)C1
InChIInChI=1S/C19H21N3O3/c1-25-17(23)8-5-10-20-19(24)15-9-11-22-16(12-15)13-21-18(22)14-6-3-2-4-7-14/h2-8,13,15H,9-12H2,1H3,(H,20,24)/b8-5+
InChIKeyQHOIZEAAXWANEM-VMPITWQZSA-N
MW339.40 g/mol
LogP1.96
Rot. Bonds5

About methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate

methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate (PubChem CID 154794746) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate
PubChem CID154794746
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate
SMILESCOC(=O)/C=C/CNC(=O)C1CCn2c(cnc2-c2ccccc2)C1
InChIInChI=1S/C19H21N3O3/c1-25-17(23)8-5-10-20-19(24)15-9-11-22-16(12-15)13-21-18(22)14-6-3-2-4-7-14/h2-8,13,15H,9-12H2,1H3,(H,20,24)/b8-5+
InChIKeyQHOIZEAAXWANEM-VMPITWQZSA-N
XLogP1.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate with MolForge

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472763
methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249264
(7S)-N-[[3-(cyanomethoxy)phenyl]methyl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339643
3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472734
(7S)-N-(2-methoxyethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339584
methyl (E)-4-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]but-2-enoate
CID 167921218
(7S)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339623
[(3S)-3-(hydroxymethyl)-2,2-dimethylthiomorpholin-4-yl]-(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 166315965
3-(7-amino-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158698
[(7R)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 97339656
methyl (E)-4-[[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]amino]but-2-enoate
CID 146095874
methyl (E)-4-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]but-2-enoate
CID 146099695

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate?
The IUPAC name of methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate (CID 154794746) is methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate?
The canonical SMILES for methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate is COC(=O)/C=C/CNC(=O)C1CCn2c(cnc2-c2ccccc2)C1.
What is the InChIKey of methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate?
The InChIKey is QHOIZEAAXWANEM-VMPITWQZSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-17(23)8-5-10-20-19(24)15-9-11-22-16(12-15)13-21-18(22)14-6-3-2-4-7-14/h2-8,13,15H,9-12H2,1H3,(H,20,24)/b8-5+.
What are the key properties of methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate?
methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate has a molecular weight of 339.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[(3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carbonyl)amino]but-2-enoate is sourced from PubChem (CID 154794746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).