6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C19H19ClF4N4O2 — CID 66584839

IUPAC6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F
InChIInChI=1S/C19H19ClF4N4O2/c1-18(2,19(22,23)24)26-17(30)27-6-7-28-12(9-27)14(16(25)29)13(15(28)20)10-4-3-5-11(21)8-10/h3-5,8H,6-7,9H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyMIYLOQNJOLNJJY-UHFFFAOYSA-N
MW446.83 g/mol
LogP3.91
Rot. Bonds3

About 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 66584839) has the molecular formula C19H19ClF4N4O2 and a molecular weight of 446.83 g/mol. Its IUPAC name is 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID66584839
Molecular FormulaC19H19ClF4N4O2
Molecular Weight446.83 g/mol
Exact Mass446.11
IUPAC Name6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESCC(C)(NC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F
InChIInChI=1S/C19H19ClF4N4O2/c1-18(2,19(22,23)24)26-17(30)27-6-7-28-12(9-27)14(16(25)29)13(15(28)20)10-4-3-5-11(21)8-10/h3-5,8H,6-7,9H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyMIYLOQNJOLNJJY-UHFFFAOYSA-N
XLogP3.91
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.83
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-7-(3-fluorophenyl)-2-N-(3-hydroxy-2,2-dimethylpropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 66585025
tert-butyl 8-carbamoyl-6-chloro-7-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 66585009
6-chloro-2-N-(3-methylbutyl)-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 89486447
2-(3-chlorophenyl)-5-N-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061426
5-N-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069163
ethyl 6-chloro-7-(3-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
CID 66585038
5-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087150
2-(3-chlorophenyl)-5-N-(1-hydroxy-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062214
2-(3-fluorophenyl)-5-N-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062371
2-N-tert-butyl-6-cyclopropyl-7-[4-[(4-fluorophenyl)methoxy]phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 54761807
[1-tert-butyl-2-carbamoyloxy-6-chloro-7-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl] carbamate
CID 122452915
5-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069162

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 66584839) is 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is CC(C)(NC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F.
What is the InChIKey of 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is MIYLOQNJOLNJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF4N4O2/c1-18(2,19(22,23)24)26-17(30)27-6-7-28-12(9-27)14(16(25)29)13(15(28)20)10-4-3-5-11(21)8-10/h3-5,8H,6-7,9H2,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 446.83 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 66584839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).