ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine

C63H60F2N16O11 — CID 159258440

IUPACethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine
SMILESCCOC(=O)c1cnc2cnccn12.CCOC(=O)c1cnc2n1CCN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2.CCOC(=O)c1cnc2n1CCNC2.Nc1cnccn1.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C25H22FN5O4.C16H11FN2O3.C9H13N3O2.C9H9N3O2.C4H5N3/c1-2-35-25(34)21-13-27-22-14-30(9-10-31(21)22)24(33)18-11-15(7-8-19(18)26)12-20-16-5-3-4-6-17(16)23(32)29-28-20;17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14;2*1-2-14-9(13)7-5-11-8-6-10-3-4-12(7)8;5-4-3-6-1-2-7-4/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,29,32);1-7H,8H2,(H,19,20)(H,21,22);5,10H,2-4,6H2,1H3;3-6H,2H2,1H3;1-3H,(H2,5,7)
InChIKeyKWEWEILCLRZHED-UHFFFAOYSA-N
MW1255.27 g/mol
LogP6.16
Rot. Bonds12

About ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine

ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine (PubChem CID 159258440) has the molecular formula C63H60F2N16O11 and a molecular weight of 1255.27 g/mol. Its IUPAC name is ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine.

Molecular Properties

Compound Nameethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine
PubChem CID159258440
Molecular FormulaC63H60F2N16O11
Molecular Weight1255.27 g/mol
Exact Mass1254.46
IUPAC Nameethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine
SMILESCCOC(=O)c1cnc2cnccn12.CCOC(=O)c1cnc2n1CCN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2.CCOC(=O)c1cnc2n1CCNC2.Nc1cnccn1.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C25H22FN5O4.C16H11FN2O3.C9H13N3O2.C9H9N3O2.C4H5N3/c1-2-35-25(34)21-13-27-22-14-30(9-10-31(21)22)24(33)18-11-15(7-8-19(18)26)12-20-16-5-3-4-6-17(16)23(32)29-28-20;17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14;2*1-2-14-9(13)7-5-11-8-6-10-3-4-12(7)8;5-4-3-6-1-2-7-4/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,29,32);1-7H,8H2,(H,19,20)(H,21,22);5,10H,2-4,6H2,1H3;3-6H,2H2,1H3;1-3H,(H2,5,7)
InChIKeyKWEWEILCLRZHED-UHFFFAOYSA-N
XLogP6.16
TPSA357.67 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001255.27
LogP ≤ 56.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine 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

[4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-1-oxo-2H-phthalazin-6-yl]methyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 123365110
1-amino-5,5,5-trifluoropentan-2-one;methyl 8-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylate;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;8-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5,5,5-trifluoro-2-oxopentyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 123960519
ethyl 7-[2-fluoro-5-[[6-[[[7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]methyl]-4-oxo-3H-phthalazin-1-yl]methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate
CID 124027585
4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;methyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 144327229
bis[[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane;6-chloro-N,N-dimethylpyrazin-2-amine;2,6-dichloropyrazine;N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine;N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine;4-[[4-fluoro-3-[5-methoxy-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoic acid;6-hydrazinyl-N,N-dimethylpyrazin-2-amine;N-methylmethanamine;molecular hydrogen;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 157192836
4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;methyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 157202702
4-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;4-[[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 157280869
4-[[4-fluoro-3-[1-(morpholine-4-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;morpholin-4-yl-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
CID 157590014
tert-butyl 1-(dimethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;bis(N,N-dimethyl-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;hydrochloride
CID 157960807
3-bromo-1,1,1-trifluoropropan-2-one;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;bis(4-[[4-fluoro-3-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);pyrazin-2-amine;2-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 158972204
bis(7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid);methyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 159038591
bis(4-[[4-fluoro-3-[1-(hydroxymethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;methyl 3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate;[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanol
CID 159348251

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine?
The IUPAC name of ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine (CID 159258440) is ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine.
What is the SMILES notation for ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine?
The canonical SMILES for ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine is CCOC(=O)c1cnc2cnccn12.CCOC(=O)c1cnc2n1CCN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2.CCOC(=O)c1cnc2n1CCNC2.Nc1cnccn1.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.
What is the InChIKey of ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine?
The InChIKey is KWEWEILCLRZHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O4.C16H11FN2O3.C9H13N3O2.C9H9N3O2.C4H5N3/c1-2-35-25(34)21-13-27-22-14-30(9-10-31(21)22)24(33)18-11-15(7-8-19(18)26)12-20-16-5-3-4-6-17(16)23(32)29-28-20;17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14;2*1-2-14-9(13)7-5-11-8-6-10-3-4-12(7)8;5-4-3-6-1-2-7-4/h3-8,11,13H,2,9-10,12,14H2,1H3,(H,29,32);1-7H,8H2,(H,19,20)(H,21,22);5,10H,2-4,6H2,1H3;3-6H,2H2,1H3;1-3H,(H2,5,7).
What are the key properties of ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine?
ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine has a molecular weight of 1255.27 g/mol, XLogP of 6.16, 12 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate;ethyl imidazo[1,2-a]pyrazine-3-carboxylate;ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;pyrazin-2-amine is sourced from PubChem (CID 159258440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).