1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C34H34N4O6 — CID 123785785

IUPAC1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)N1CCn2c(nc(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cc3)c2NC(=O)OC(C)c2ccccc2)C1
InChIInChI=1S/C34H34N4O6/c1-3-43-33(42)37-19-20-38-28(21-37)35-29(30(38)36-32(41)44-22(2)23-7-5-4-6-8-23)26-11-9-24(10-12-26)25-13-15-27(16-14-25)34(17-18-34)31(39)40/h4-16,22H,3,17-21H2,1-2H3,(H,36,41)(H,39,40)
InChIKeyXDJMXIYBSUTHPZ-UHFFFAOYSA-N
MW594.67 g/mol
LogP6.62
Rot. Bonds8

About 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 123785785) has the molecular formula C34H34N4O6 and a molecular weight of 594.67 g/mol. Its IUPAC name is 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID123785785
Molecular FormulaC34H34N4O6
Molecular Weight594.67 g/mol
Exact Mass594.25
IUPAC Name1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)N1CCn2c(nc(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cc3)c2NC(=O)OC(C)c2ccccc2)C1
InChIInChI=1S/C34H34N4O6/c1-3-43-33(42)37-19-20-38-28(21-37)35-29(30(38)36-32(41)44-22(2)23-7-5-4-6-8-23)26-11-9-24(10-12-26)25-13-15-27(16-14-25)34(17-18-34)31(39)40/h4-16,22H,3,17-21H2,1-2H3,(H,36,41)(H,39,40)
InChIKeyXDJMXIYBSUTHPZ-UHFFFAOYSA-N
XLogP6.62
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.67
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[4-[4-[3-(1-phenylethoxycarbonylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 78057625
1-[4-[4-[4-(1-phenylethoxycarbonylamino)pyridazin-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266217
1-[4-[4-[5-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266733
1-[4-[4-[5-[[(1R)-1-phenylethoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 89449096
1-[4-[4-[5-(1-phenylethoxycarbonylamino)thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266635
1-[4-[4-[5-(1-phenylethoxycarbonylamino)-1,2,4-triazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266846
1-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 70856566
1-[4-[4-[3-ethyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66660644
4-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 70819347
1-[4-[4-[5-(1-phenylethoxycarbonylamino)tetrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71265955
1-[4-[4-[1-methyl-5-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]triazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71455704
1-[4-[4-[5-[[(1R)-1-[3-(fluoromethyl)phenyl]ethoxy]carbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 118070565

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 123785785) is 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is CCOC(=O)N1CCn2c(nc(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cc3)c2NC(=O)OC(C)c2ccccc2)C1.
What is the InChIKey of 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is XDJMXIYBSUTHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O6/c1-3-43-33(42)37-19-20-38-28(21-37)35-29(30(38)36-32(41)44-22(2)23-7-5-4-6-8-23)26-11-9-24(10-12-26)25-13-15-27(16-14-25)34(17-18-34)31(39)40/h4-16,22H,3,17-21H2,1-2H3,(H,36,41)(H,39,40).
What are the key properties of 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 594.67 g/mol, XLogP of 6.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-ethoxycarbonyl-3-(1-phenylethoxycarbonylamino)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123785785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).