1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid

C20H23F3N6O3S — CID 118743758

IUPAC1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N6OS.C2HF3O2/c1-13-3-4-16(26-13)11-23-5-6-24-10-15(21-17(24)12-23)8-19-18(25)14-7-20-22(2)9-14;3-2(4,5)1(6)7/h3-4,7,9-10H,5-6,8,11-12H2,1-2H3,(H,19,25);(H,6,7)
InChIKeyPFCREGNMRJKNNB-UHFFFAOYSA-N
MW484.50 g/mol
LogP2.57
Rot. Bonds5

About 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid

1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743758) has the molecular formula C20H23F3N6O3S and a molecular weight of 484.50 g/mol. Its IUPAC name is 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-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-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743758
Molecular FormulaC20H23F3N6O3S
Molecular Weight484.50 g/mol
Exact Mass484.15
IUPAC Name1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N6OS.C2HF3O2/c1-13-3-4-16(26-13)11-23-5-6-24-10-15(21-17(24)12-23)8-19-18(25)14-7-20-22(2)9-14;3-2(4,5)1(6)7/h3-4,7,9-10H,5-6,8,11-12H2,1-2H3,(H,19,25);(H,6,7)
InChIKeyPFCREGNMRJKNNB-UHFFFAOYSA-N
XLogP2.57
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-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-2-yl]methyl]pyrazole-4-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-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 118743758) is 1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-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-2-yl]methyl]pyrazole-4-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-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCn3cc(CNC(=O)c4cnn(C)c4)nc3C2)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-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PFCREGNMRJKNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS.C2HF3O2/c1-13-3-4-16(26-13)11-23-5-6-24-10-15(21-17(24)12-23)8-19-18(25)14-7-20-22(2)9-14;3-2(4,5)1(6)7/h3-4,7,9-10H,5-6,8,11-12H2,1-2H3,(H,19,25);(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-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
1-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 484.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-2-yl]methyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).