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

C19H25F3N4O3S — CID 118743133

IUPAC5-[[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
SMILESCc1ncsc1CN1CCn2c(COCC3CC3)cnc2C1C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4OS.C2HF3O2/c1-12-16(23-11-19-12)8-20-5-6-21-15(7-18-17(21)13(20)2)10-22-9-14-3-4-14;3-2(4,5)1(6)7/h7,11,13-14H,3-6,8-10H2,1-2H3;(H,6,7)
InChIKeyQZPBZNNLNGGQJG-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.78
Rot. Bonds6

About 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

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 (PubChem CID 118743133) has the molecular formula C19H25F3N4O3S and a molecular weight of 446.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID118743133
Molecular FormulaC19H25F3N4O3S
Molecular Weight446.50 g/mol
Exact Mass446.16
IUPAC Name5-[[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
SMILESCc1ncsc1CN1CCn2c(COCC3CC3)cnc2C1C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4OS.C2HF3O2/c1-12-16(23-11-19-12)8-20-5-6-21-15(7-18-17(21)13(20)2)10-22-9-14-3-4-14;3-2(4,5)1(6)7/h7,11,13-14H,3-6,8-10H2,1-2H3;(H,6,7)
InChIKeyQZPBZNNLNGGQJG-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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncsc1CN1CCn2c(COCC3CC3)cnc2C1C.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is QZPBZNNLNGGQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.C2HF3O2/c1-12-16(23-11-19-12)8-20-5-6-21-15(7-18-17(21)13(20)2)10-22-9-14-3-4-14;3-2(4,5)1(6)7/h7,11,13-14H,3-6,8-10H2,1-2H3;(H,6,7).
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 118743133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).