4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

C19H25F3N4O3S — CID 155825647

IUPAC4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(COCc2cnc3n2CCN(CC2CC2)C3C)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4OS.C2HF3O2/c1-12-17-18-7-16(10-22-9-15-11-23-13(2)19-15)21(17)6-5-20(12)8-14-3-4-14;3-2(4,5)1(6)7/h7,11-12,14H,3-6,8-10H2,1-2H3;(H,6,7)
InChIKeyVLKCLQUTBVOUHF-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.78
Rot. Bonds6

About 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 155825647) has the molecular formula C19H25F3N4O3S and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID155825647
Molecular FormulaC19H25F3N4O3S
Molecular Weight446.50 g/mol
Exact Mass446.16
IUPAC Name4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1nc(COCc2cnc3n2CCN(CC2CC2)C3C)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4OS.C2HF3O2/c1-12-17-18-7-16(10-22-9-15-11-23-13(2)19-15)21(17)6-5-20(12)8-14-3-4-14;3-2(4,5)1(6)7/h7,11-12,14H,3-6,8-10H2,1-2H3;(H,6,7)
InChIKeyVLKCLQUTBVOUHF-UHFFFAOYSA-N
XLogP3.78
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 118739398
1-[8-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 118739725
2-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 118743112
5-[[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 118743134
4-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole
CID 118743396
4-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole
CID 118744103
4-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole
CID 118744105
2-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743111
5-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743113
5-[[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743133
4-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743395
4-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118744102

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 155825647) is 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is Cc1nc(COCc2cnc3n2CCN(CC2CC2)C3C)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is VLKCLQUTBVOUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.C2HF3O2/c1-12-17-18-7-16(10-22-9-15-11-23-13(2)19-15)21(17)6-5-20(12)8-14-3-4-14;3-2(4,5)1(6)7/h7,11-12,14H,3-6,8-10H2,1-2H3;(H,6,7).
What are the key properties of 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 446.50 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(cyclopropylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).