2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

C20H26F3N5O4S — CID 155861285

IUPAC2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)NCCC2CN(C3CCOCC3)Cc3ccnn32)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2S.C2HF3O2/c1-13-21-17(12-26-13)18(24)19-6-2-15-10-22(14-4-8-25-9-5-14)11-16-3-7-20-23(15)16;3-2(4,5)1(6)7/h3,7,12,14-15H,2,4-6,8-11H2,1H3,(H,19,24);(H,6,7)
InChIKeyLCWWZAZXSDJYBM-UHFFFAOYSA-N
MW489.52 g/mol
LogP2.64
Rot. Bonds5

About 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155861285) has the molecular formula C20H26F3N5O4S and a molecular weight of 489.52 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155861285
Molecular FormulaC20H26F3N5O4S
Molecular Weight489.52 g/mol
Exact Mass489.17
IUPAC Name2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc(C(=O)NCCC2CN(C3CCOCC3)Cc3ccnn32)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2S.C2HF3O2/c1-13-21-17(12-26-13)18(24)19-6-2-15-10-22(14-4-8-25-9-5-14)11-16-3-7-20-23(15)16;3-2(4,5)1(6)7/h3,7,12,14-15H,2,4-6,8-11H2,1H3,(H,19,24);(H,6,7)
InChIKeyLCWWZAZXSDJYBM-UHFFFAOYSA-N
XLogP2.64
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155861285) is 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc(C(=O)NCCC2CN(C3CCOCC3)Cc3ccnn32)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is LCWWZAZXSDJYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S.C2HF3O2/c1-13-21-17(12-26-13)18(24)19-6-2-15-10-22(14-4-8-25-9-5-14)11-16-3-7-20-23(15)16;3-2(4,5)1(6)7/h3,7,12,14-15H,2,4-6,8-11H2,1H3,(H,19,24);(H,6,7).
What are the key properties of 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 489.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).