N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C20H22F3N5O4S — CID 155846545

IUPACN-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1csc(CN2CCn3cc(C(=O)NCc4ccco4)nc3C2C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N5O2S.C2HF3O2/c1-12-11-26-16(20-12)10-22-5-6-23-9-15(21-17(23)13(22)2)18(24)19-8-14-4-3-7-25-14;3-2(4,5)1(6)7/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,19,24);(H,6,7)
InChIKeyWWFXJSIBPNBJKN-UHFFFAOYSA-N
MW485.49 g/mol
LogP3.38
Rot. Bonds5

About N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155846545) has the molecular formula C20H22F3N5O4S and a molecular weight of 485.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155846545
Molecular FormulaC20H22F3N5O4S
Molecular Weight485.49 g/mol
Exact Mass485.13
IUPAC NameN-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1csc(CN2CCn3cc(C(=O)NCc4ccco4)nc3C2C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N5O2S.C2HF3O2/c1-12-11-26-16(20-12)10-22-5-6-23-9-15(21-17(23)13(22)2)18(24)19-8-14-4-3-7-25-14;3-2(4,5)1(6)7/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,19,24);(H,6,7)
InChIKeyWWFXJSIBPNBJKN-UHFFFAOYSA-N
XLogP3.38
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155861510
N-(cyclopropylmethyl)-7-(furan-2-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131653432
N-(2-methoxyethyl)-8-methyl-7-[(3-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155860560
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
7-(furan-2-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131651513
N-(furan-2-ylmethyl)-8-methyl-7-(1-methylindole-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131694067
8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 133137342
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
7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-N-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155825841
(6R)-N-(furan-2-ylmethyl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009686
N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 54914183
2-(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 133140587

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155846545) is N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1csc(CN2CCn3cc(C(=O)NCc4ccco4)nc3C2C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WWFXJSIBPNBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S.C2HF3O2/c1-12-11-26-16(20-12)10-22-5-6-23-9-15(21-17(23)13(22)2)18(24)19-8-14-4-3-7-25-14;3-2(4,5)1(6)7/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,19,24);(H,6,7).
What are the key properties of N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 485.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-8-methyl-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).