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

C21H24F3N5O5 — CID 155861510

IUPAC7-[(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
SMILESCc1noc(C)c1CN1CCn2cc(C(=O)NCc3ccco3)nc2C1C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5O3.C2HF3O2/c1-12-16(14(3)27-22-12)10-23-6-7-24-11-17(21-18(24)13(23)2)19(25)20-9-15-5-4-8-26-15;3-2(4,5)1(6)7/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,20,25);(H,6,7)
InChIKeyFLGMNPITZGFJLH-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.22
Rot. Bonds5

About 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

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 (PubChem CID 155861510) has the molecular formula C21H24F3N5O5 and a molecular weight of 483.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[(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
PubChem CID155861510
Molecular FormulaC21H24F3N5O5
Molecular Weight483.45 g/mol
Exact Mass483.17
IUPAC Name7-[(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
SMILESCc1noc(C)c1CN1CCn2cc(C(=O)NCc3ccco3)nc2C1C.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5O3.C2HF3O2/c1-12-16(14(3)27-22-12)10-23-6-7-24-11-17(21-18(24)13(23)2)19(25)20-9-15-5-4-8-26-15;3-2(4,5)1(6)7/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,20,25);(H,6,7)
InChIKeyFLGMNPITZGFJLH-UHFFFAOYSA-N
XLogP3.22
TPSA126.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CN1CCn2cc(C(=O)NCc3ccco3)nc2C1C.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is FLGMNPITZGFJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.C2HF3O2/c1-12-16(14(3)27-22-12)10-23-6-7-24-11-17(21-18(24)13(23)2)19(25)20-9-15-5-4-8-26-15;3-2(4,5)1(6)7/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H,20,25);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 483.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155861510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).