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

C19H24F3N5O4S — CID 155826055

IUPACN-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CN(CC2CCOCC2)Cc2ccnn21)c1cscn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O2S.C2HF3O2/c23-17(16-11-25-12-19-16)18-7-15-10-21(8-13-2-5-24-6-3-13)9-14-1-4-20-22(14)15;3-2(4,5)1(6)7/h1,4,11-13,15H,2-3,5-10H2,(H,18,23);(H,6,7)
InChIKeyIHAFVCGRNRNLSE-UHFFFAOYSA-N
MW475.49 g/mol
LogP2.19
Rot. Bonds5

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

N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155826055) has the molecular formula C19H24F3N5O4S and a molecular weight of 475.49 g/mol. Its IUPAC name is N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155826055
Molecular FormulaC19H24F3N5O4S
Molecular Weight475.49 g/mol
Exact Mass475.15
IUPAC NameN-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CN(CC2CCOCC2)Cc2ccnn21)c1cscn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O2S.C2HF3O2/c23-17(16-11-25-12-19-16)18-7-15-10-21(8-13-2-5-24-6-3-13)9-14-1-4-20-22(14)15;3-2(4,5)1(6)7/h1,4,11-13,15H,2-3,5-10H2,(H,18,23);(H,6,7)
InChIKeyIHAFVCGRNRNLSE-UHFFFAOYSA-N
XLogP2.19
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-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 N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155826055) is N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CN(CC2CCOCC2)Cc2ccnn21)c1cscn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IHAFVCGRNRNLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S.C2HF3O2/c23-17(16-11-25-12-19-16)18-7-15-10-21(8-13-2-5-24-6-3-13)9-14-1-4-20-22(14)15;3-2(4,5)1(6)7/h1,4,11-13,15H,2-3,5-10H2,(H,18,23);(H,6,7).
What are the key properties of N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 475.49 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).