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

C76H66F3N21O7 — CID 158324910

IUPACbis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESNc1cnccn1.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2ccnc2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2ccnc2C1.c1cn2c(n1)CNCC2.c1cn2ccnc2cn1
InChIInChI=1S/2C22H18FN5O2.C16H11FN2O3.C6H9N3.C6H5N3.C4H5N3/c2*23-18-6-5-14(12-19-15-3-1-2-4-16(15)21(29)26-25-19)11-17(18)22(30)28-10-9-27-8-7-24-20(27)13-28;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*1-3-9-4-2-8-6(9)5-7-1;5-4-3-6-1-2-7-4/h2*1-8,11H,9-10,12-13H2,(H,26,29);1-7H,8H2,(H,19,20)(H,21,22);2,4,7H,1,3,5H2;1-5H;1-3H,(H2,5,7)
InChIKeyGPHDYMUPCVJPLL-UHFFFAOYSA-N
MW1442.50 g/mol
LogP8.14
Rot. Bonds9

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

bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 158324910) has the molecular formula C76H66F3N21O7 and a molecular weight of 1442.50 g/mol. Its IUPAC name is bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Namebis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID158324910
Molecular FormulaC76H66F3N21O7
Molecular Weight1442.50 g/mol
Exact Mass1441.54
IUPAC Namebis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESNc1cnccn1.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2ccnc2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2ccnc2C1.c1cn2c(n1)CNCC2.c1cn2ccnc2cn1
InChIInChI=1S/2C22H18FN5O2.C16H11FN2O3.C6H9N3.C6H5N3.C4H5N3/c2*23-18-6-5-14(12-19-15-3-1-2-4-16(15)21(29)26-25-19)11-17(18)22(30)28-10-9-27-8-7-24-20(27)13-28;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*1-3-9-4-2-8-6(9)5-7-1;5-4-3-6-1-2-7-4/h2*1-8,11H,9-10,12-13H2,(H,26,29);1-7H,8H2,(H,19,20)(H,21,22);2,4,7H,1,3,5H2;1-5H;1-3H,(H2,5,7)
InChIKeyGPHDYMUPCVJPLL-UHFFFAOYSA-N
XLogP8.14
TPSA362.65 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001442.50
LogP ≤ 58.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine with MolForge

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Related Compounds

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;2-fluoro-5-[(4-oxo-3H-isoquinolin-1-yl)methyl]benzoic acid;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;6-hydrazinyl-N,N-dimethylpyrazin-2-amine;N-methylmethanamine;molecular hydrogen;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 157126855
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
bis(2-[4-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone);tert-butyl N-[3-[4-[[4-[2-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]carbamate;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid
CID 157923200
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
4-[[3-[1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;1-bromo-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;tert-butyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate;2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;hydrochloride
CID 159154264
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;bis(4-[[4-fluoro-3-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 161156653
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;bis(4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);methane;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 161335994
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;bis(4-[[4-fluoro-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one);3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 161351151
N-ethyl-2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 161643217
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;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-carbonitrile);3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carbonitrile;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
CID 161999468
bis(4-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 157215782
CID 157361921
CID 157361921

Frequently Asked Questions

What is the IUPAC name of bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 158324910) is bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is Nc1cnccn1.O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2ccnc2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2ccnc2C1.c1cn2c(n1)CNCC2.c1cn2ccnc2cn1.
What is the InChIKey of bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is GPHDYMUPCVJPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18FN5O2.C16H11FN2O3.C6H9N3.C6H5N3.C4H5N3/c2*23-18-6-5-14(12-19-15-3-1-2-4-16(15)21(29)26-25-19)11-17(18)22(30)28-10-9-27-8-7-24-20(27)13-28;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*1-3-9-4-2-8-6(9)5-7-1;5-4-3-6-1-2-7-4/h2*1-8,11H,9-10,12-13H2,(H,26,29);1-7H,8H2,(H,19,20)(H,21,22);2,4,7H,1,3,5H2;1-5H;1-3H,(H2,5,7).
What are the key properties of bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 1442.50 g/mol, XLogP of 8.14, 9 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one);2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid;imidazo[1,2-a]pyrazine;pyrazin-2-amine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 158324910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).