[2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C32H33FN6O5S — CID 144993771

IUPAC[2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)N1CCn2c(CCC(=O)CNC(=O)c3cn(SF)c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C32H33FN6O5S/c1-19(2)37-12-13-38-22(14-26(41)29(28(38)32(37)43)44-18-20-6-4-3-5-7-20)10-11-23(40)15-35-31(42)24-17-39(45-33)30-27(24)36-25(16-34-30)21-8-9-21/h3-7,14,16-17,19,21H,8-13,15,18H2,1-2H3,(H,35,42)
InChIKeyZFWQLLIZSUBFKH-UHFFFAOYSA-N
MW632.72 g/mol
LogP4.23
Rot. Bonds12

About [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 144993771) has the molecular formula C32H33FN6O5S and a molecular weight of 632.72 g/mol. Its IUPAC name is [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID144993771
Molecular FormulaC32H33FN6O5S
Molecular Weight632.72 g/mol
Exact Mass632.22
IUPAC Name[2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESCC(C)N1CCn2c(CCC(=O)CNC(=O)c3cn(SF)c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C32H33FN6O5S/c1-19(2)37-12-13-38-22(14-26(41)29(28(38)32(37)43)44-18-20-6-4-3-5-7-20)10-11-23(40)15-35-31(42)24-17-39(45-33)30-27(24)36-25(16-34-30)21-8-9-21/h3-7,14,16-17,19,21H,8-13,15,18H2,1-2H3,(H,35,42)
InChIKeyZFWQLLIZSUBFKH-UHFFFAOYSA-N
XLogP4.23
TPSA128.42 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.72
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite with MolForge

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Related Compounds

1-[2-(Cyclopropanecarbonyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-[(4-fluorophenyl)methoxy]pyridin-2-one
CID 89702382
6-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-N,3-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 89702381
[2-Cyclopropyl-7-[[1-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144993794
benzyl 4-oxopiperidine-1-carboxylate;2-cyclopropyl-N-[(2R)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;4-(trifluoromethyl)piperidin-4-ol
CID 158780379
[2-Cyclopropyl-7-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144993833
[2-Cyclopropyl-7-[8-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-8-oxooctanoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144993849
benzyl 4-(6-carbamoyl-8-oxo-2-pyridin-3-yl-7H-purin-9-yl)piperidine-1-carboxylate
CID 24937859
2-cyclopropyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-hydroxy-4-phenyl-piperidine-1-carbonyl)-2,2-dimethyl-propyl]-amide
CID 67386679
2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118621132
2-cyclopropyl-N-[3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118621134
2-cyclopropyl-N-[3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)amino]-2-oxopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 118632762
(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 118632764

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 144993771) is [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is CC(C)N1CCn2c(CCC(=O)CNC(=O)c3cn(SF)c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is ZFWQLLIZSUBFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN6O5S/c1-19(2)37-12-13-38-22(14-26(41)29(28(38)32(37)43)44-18-20-6-4-3-5-7-20)10-11-23(40)15-35-31(42)24-17-39(45-33)30-27(24)36-25(16-34-30)21-8-9-21/h3-7,14,16-17,19,21H,8-13,15,18H2,1-2H3,(H,35,42).
What are the key properties of [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 632.72 g/mol, XLogP of 4.23, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-7-[[4-(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)-2-oxobutyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 144993771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).