[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

C29H29FN6O4S — CID 144993833

IUPAC[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
SMILESCC(C)N1CCn2c(CNC(=O)c3cn(SF)c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C29H29FN6O4S/c1-17(2)34-10-11-35-20(12-23(37)26(25(35)29(34)39)40-16-18-6-4-3-5-7-18)13-32-28(38)21-15-36(41-30)27-24(21)33-22(14-31-27)19-8-9-19/h3-7,12,14-15,17,19H,8-11,13,16H2,1-2H3,(H,32,38)
InChIKeyUUCDZVLTWRTDSY-UHFFFAOYSA-N
MW576.65 g/mol
LogP4.22
Rot. Bonds9

About [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

[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 (PubChem CID 144993833) has the molecular formula C29H29FN6O4S and a molecular weight of 576.65 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID144993833
Molecular FormulaC29H29FN6O4S
Molecular Weight576.65 g/mol
Exact Mass576.20
IUPAC Name[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
SMILESCC(C)N1CCn2c(CNC(=O)c3cn(SF)c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C29H29FN6O4S/c1-17(2)34-10-11-35-20(12-23(37)26(25(35)29(34)39)40-16-18-6-4-3-5-7-18)13-32-28(38)21-15-36(41-30)27-24(21)33-22(14-31-27)19-8-9-19/h3-7,12,14-15,17,19H,8-11,13,16H2,1-2H3,(H,32,38)
InChIKeyUUCDZVLTWRTDSY-UHFFFAOYSA-N
XLogP4.22
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.65
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [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 with MolForge

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Related Compounds

6-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]-N,N,3-trimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 89702341
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-(3-Fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 84598007
[(2R)-2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 97613243
[(2S)-2-(3-fluorophenyl)morpholin-4-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 97613244
[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
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)N1CCn2c(CNC(=O)c3cn(SF)c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of [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?
The InChIKey is UUCDZVLTWRTDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O4S/c1-17(2)34-10-11-35-20(12-23(37)26(25(35)29(34)39)40-16-18-6-4-3-5-7-18)13-32-28(38)21-15-36(41-30)27-24(21)33-22(14-31-27)19-8-9-19/h3-7,12,14-15,17,19H,8-11,13,16H2,1-2H3,(H,32,38).
What are the key properties of [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?
[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 has a molecular weight of 576.65 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 144993833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).