1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

C21H24F3N5O3S — CID 118743431

IUPAC1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCn3c(CNC(=O)c4cccn4C)cnc3C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5OS.C2HF3O2/c1-14-5-6-16(26-14)12-23-8-9-24-15(10-20-18(24)13-23)11-21-19(25)17-4-3-7-22(17)2;3-2(4,5)1(6)7/h3-7,10H,8-9,11-13H2,1-2H3,(H,21,25);(H,6,7)
InChIKeyVWVSFOHDPBGVNP-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.17
Rot. Bonds5

About 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid

1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743431) has the molecular formula C21H24F3N5O3S and a molecular weight of 483.52 g/mol. Its IUPAC name is 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743431
Molecular FormulaC21H24F3N5O3S
Molecular Weight483.52 g/mol
Exact Mass483.16
IUPAC Name1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCn3c(CNC(=O)c4cccn4C)cnc3C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5OS.C2HF3O2/c1-14-5-6-16(26-14)12-23-8-9-24-15(10-20-18(24)13-23)11-21-19(25)17-4-3-7-22(17)2;3-2(4,5)1(6)7/h3-7,10H,8-9,11-13H2,1-2H3,(H,21,25);(H,6,7)
InChIKeyVWVSFOHDPBGVNP-UHFFFAOYSA-N
XLogP3.17
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 118743431) is 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCn3c(CNC(=O)c4cccn4C)cnc3C2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VWVSFOHDPBGVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS.C2HF3O2/c1-14-5-6-16(26-14)12-23-8-9-24-15(10-20-18(24)13-23)11-21-19(25)17-4-3-7-22(17)2;3-2(4,5)1(6)7/h3-7,10H,8-9,11-13H2,1-2H3,(H,21,25);(H,6,7).
What are the key properties of 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid?
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 483.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).