N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate

C55H55F10N11O8 — CID 159378459

IUPACN-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
SMILESCOC(=O)c1ccn2c1CNCC2.COC(=O)c1ccn2ccncc12.C[C@@H](CC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](NC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/C19H18F5N3O2.C18H17F5N4O2.C9H12N2O2.C9H8N2O2/c1-11(19(22,23)24)8-17(28)13-4-5-26-6-7-27(10-16(13)26)18(29)25-12-2-3-14(20)15(21)9-12;1-10(18(21,22)23)24-16(28)12-4-5-26-6-7-27(9-15(12)26)17(29)25-11-2-3-13(19)14(20)8-11;2*1-13-9(12)7-2-4-11-5-3-10-6-8(7)11/h2-5,9,11H,6-8,10H2,1H3,(H,25,29);2-5,8,10H,6-7,9H2,1H3,(H,24,28)(H,25,29);2,4,10H,3,5-6H2,1H3;2-6H,1H3/t11-;10-;;/m01../s1
InChIKeyLKPNXBHEEFKWQO-ZAWUWVDASA-N
MW1188.09 g/mol
LogP9.58
Rot. Bonds9

About N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate

N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate (PubChem CID 159378459) has the molecular formula C55H55F10N11O8 and a molecular weight of 1188.09 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
PubChem CID159378459
Molecular FormulaC55H55F10N11O8
Molecular Weight1188.09 g/mol
Exact Mass1187.41
IUPAC NameN-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate
SMILESCOC(=O)c1ccn2c1CNCC2.COC(=O)c1ccn2ccncc12.C[C@@H](CC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](NC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F
InChIInChI=1S/C19H18F5N3O2.C18H17F5N4O2.C9H12N2O2.C9H8N2O2/c1-11(19(22,23)24)8-17(28)13-4-5-26-6-7-27(10-16(13)26)18(29)25-12-2-3-14(20)15(21)9-12;1-10(18(21,22)23)24-16(28)12-4-5-26-6-7-27(9-15(12)26)17(29)25-11-2-3-13(19)14(20)8-11;2*1-13-9(12)7-2-4-11-5-3-10-6-8(7)11/h2-5,9,11H,6-8,10H2,1H3,(H,25,29);2-5,8,10H,6-7,9H2,1H3,(H,24,28)(H,25,29);2,4,10H,3,5-6H2,1H3;2-6H,1H3/t11-;10-;;/m01../s1
InChIKeyLKPNXBHEEFKWQO-ZAWUWVDASA-N
XLogP9.58
TPSA207.57 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001188.09
LogP ≤ 59.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate with MolForge

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Related Compounds

methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;methyl 5-[(3,4,5-trifluorophenyl)carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate;2,2,2-trifluoroacetic acid;bis(3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide)
CID 161180276
tert-butyl 4-[[1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate;(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylic acid;1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 157088989
tert-butyl 4-[[1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;(4-fluorophenyl)methyl 1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylate;1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylic acid;1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 160286009

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate?
The IUPAC name of N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate (CID 159378459) is N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate.
What is the SMILES notation for N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate?
The canonical SMILES for N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate is COC(=O)c1ccn2c1CNCC2.COC(=O)c1ccn2ccncc12.C[C@@H](CC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.C[C@@H](NC(=O)c1ccn2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2)C(F)(F)F.
What is the InChIKey of N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate?
The InChIKey is LKPNXBHEEFKWQO-ZAWUWVDASA-N. The full InChI is InChI=1S/C19H18F5N3O2.C18H17F5N4O2.C9H12N2O2.C9H8N2O2/c1-11(19(22,23)24)8-17(28)13-4-5-26-6-7-27(10-16(13)26)18(29)25-12-2-3-14(20)15(21)9-12;1-10(18(21,22)23)24-16(28)12-4-5-26-6-7-27(9-15(12)26)17(29)25-11-2-3-13(19)14(20)8-11;2*1-13-9(12)7-2-4-11-5-3-10-6-8(7)11/h2-5,9,11H,6-8,10H2,1H3,(H,25,29);2-5,8,10H,6-7,9H2,1H3,(H,24,28)(H,25,29);2,4,10H,3,5-6H2,1H3;2-6H,1H3/t11-;10-;;/m01../s1.
What are the key properties of N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate?
N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate has a molecular weight of 1188.09 g/mol, XLogP of 9.58, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-8-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide;2-N-(3,4-difluorophenyl)-8-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide;methyl pyrrolo[1,2-a]pyrazine-8-carboxylate;methyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxylate is sourced from PubChem (CID 159378459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).