N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C18H22F3N5O6S — CID 155862396

IUPACN-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCNC(=O)c1cn2c(n1)C(C)N(S(=O)(=O)c1cccnc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5O4S.C2HF3O2/c1-12-15-19-14(16(22)18-6-9-25-2)11-20(15)7-8-21(12)26(23,24)13-4-3-5-17-10-13;3-2(4,5)1(6)7/h3-5,10-12H,6-9H2,1-2H3,(H,18,22);(H,6,7)
InChIKeyUJQJBQQRVZVYHA-UHFFFAOYSA-N
MW493.46 g/mol
LogP1.05
Rot. Bonds6

About N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155862396) has the molecular formula C18H22F3N5O6S and a molecular weight of 493.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155862396
Molecular FormulaC18H22F3N5O6S
Molecular Weight493.46 g/mol
Exact Mass493.12
IUPAC NameN-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCNC(=O)c1cn2c(n1)C(C)N(S(=O)(=O)c1cccnc1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21N5O4S.C2HF3O2/c1-12-15-19-14(16(22)18-6-9-25-2)11-20(15)7-8-21(12)26(23,24)13-4-3-5-17-10-13;3-2(4,5)1(6)7/h3-5,10-12H,6-9H2,1-2H3,(H,18,22);(H,6,7)
InChIKeyUJQJBQQRVZVYHA-UHFFFAOYSA-N
XLogP1.05
TPSA143.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155862125
8-methyl-7-(4-methylpentanoyl)-N-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863960
7,8-dimethyl-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155839386
N-(2-methoxyethyl)-2-[(8S)-8-methyl-7-methylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 124783447
(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421796
8-methyl-7-methylsulfonyl-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131655886
(5aS,8aS)-4-(2-methoxyethyl)-7-pyridin-3-ylsulfonyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine;2,2,2-trifluoroacetic acid
CID 171694090
8-methyl-7-(2-methylcyclopropanecarbonyl)-N-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155869278
N-(2-methoxyethyl)-8-methyl-7-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131662656
(8S)-8-methyl-N-propan-2-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809087
(4R,4aS,7aS)-6-ethyl-4-methoxy-1-pyridin-3-ylsulfonyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,2,2-trifluoroacetic acid
CID 171694472
N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155863880

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155862396) is N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is COCCNC(=O)c1cn2c(n1)C(C)N(S(=O)(=O)c1cccnc1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UJQJBQQRVZVYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S.C2HF3O2/c1-12-15-19-14(16(22)18-6-9-25-2)11-20(15)7-8-21(12)26(23,24)13-4-3-5-17-10-13;3-2(4,5)1(6)7/h3-5,10-12H,6-9H2,1-2H3,(H,18,22);(H,6,7).
What are the key properties of N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 493.46 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).