[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

C47H35F5N10O6 — CID 123365110

IUPAC[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
SMILESO=C(OCc1ccc2c(=O)[nH]nc(Cc3ccc(F)c(C(=O)N4CCn5ccnc5C4)c3)c2c1)c1nc(C(F)(F)F)n2c1CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)CC2
InChIInChI=1S/C47H35F5N10O6/c48-34-9-6-25(20-36-28-3-1-2-4-29(28)41(63)57-55-36)17-32(34)43(65)60-15-16-62-38(22-60)40(54-46(62)47(50,51)52)45(67)68-24-27-5-8-30-31(19-27)37(56-58-42(30)64)21-26-7-10-35(49)33(18-26)44(66)61-14-13-59-12-11-53-39(59)23-61/h1-12,17-19H,13-16,20-24H2,(H,57,63)(H,58,64)
InChIKeyCGOKAUNRYZLVGE-UHFFFAOYSA-N
MW930.85 g/mol
LogP5.70
Rot. Bonds9

About [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

[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 (PubChem CID 123365110) has the molecular formula C47H35F5N10O6 and a molecular weight of 930.85 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID123365110
Molecular FormulaC47H35F5N10O6
Molecular Weight930.85 g/mol
Exact Mass930.27
IUPAC Name[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
SMILESO=C(OCc1ccc2c(=O)[nH]nc(Cc3ccc(F)c(C(=O)N4CCn5ccnc5C4)c3)c2c1)c1nc(C(F)(F)F)n2c1CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)CC2
InChIInChI=1S/C47H35F5N10O6/c48-34-9-6-25(20-36-28-3-1-2-4-29(28)41(63)57-55-36)17-32(34)43(65)60-15-16-62-38(22-60)40(54-46(62)47(50,51)52)45(67)68-24-27-5-8-30-31(19-27)37(56-58-42(30)64)21-26-7-10-35(49)33(18-26)44(66)61-14-13-59-12-11-53-39(59)23-61/h1-12,17-19H,13-16,20-24H2,(H,57,63)(H,58,64)
InChIKeyCGOKAUNRYZLVGE-UHFFFAOYSA-N
XLogP5.70
TPSA194.06 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500930.85
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze [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 with MolForge

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Related Compounds

ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate
CID 56832629
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 56833302
[5-Fluoro-2-[2-[1-[5-[4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]imidazol-1-yl]ethyl]phenyl]phenyl]methyl 3-[1-[2-(4-fluorophenyl)phenyl]ethyl]imidazole-4-carboxylate
CID 123898479
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-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 129261558
ethyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylate
CID 129262110
Ethyl 5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenylimidazo[1,5-a]pyridine-1-carboxylate
CID 140861910
Ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate
CID 140861918
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
ethyl formate;4-[[4-fluoro-3-(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;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
CID 144327248
methyl 7-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate
CID 153525656
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(OCc1ccc2c(=O)[nH]nc(Cc3ccc(F)c(C(=O)N4CCn5ccnc5C4)c3)c2c1)c1nc(C(F)(F)F)n2c1CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)CC2.
What is the InChIKey of [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?
The InChIKey is CGOKAUNRYZLVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35F5N10O6/c48-34-9-6-25(20-36-28-3-1-2-4-29(28)41(63)57-55-36)17-32(34)43(65)60-15-16-62-38(22-60)40(54-46(62)47(50,51)52)45(67)68-24-27-5-8-30-31(19-27)37(56-58-42(30)64)21-26-7-10-35(49)33(18-26)44(66)61-14-13-59-12-11-53-39(59)23-61/h1-12,17-19H,13-16,20-24H2,(H,57,63)(H,58,64).
What are the key properties of [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?
[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 has a molecular weight of 930.85 g/mol, XLogP of 5.70, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 123365110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).