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

C20H26F3N5O4S — CID 155824056

IUPACN-[2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCC1CN(CC2CCOCC2)Cc2ccnn21)c1cscn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2S.C2HF3O2/c24-18(17-12-26-13-20-17)19-5-1-15-10-22(9-14-3-7-25-8-4-14)11-16-2-6-21-23(15)16;3-2(4,5)1(6)7/h2,6,12-15H,1,3-5,7-11H2,(H,19,24);(H,6,7)
InChIKeyUXTGJDSBKHMIQK-UHFFFAOYSA-N
MW489.52 g/mol
LogP2.58
Rot. Bonds6

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

N-[2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155824056) has the molecular formula C20H26F3N5O4S and a molecular weight of 489.52 g/mol. Its IUPAC name is N-[2-[5-(oxan-4-ylmethyl)-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 NameN-[2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155824056
Molecular FormulaC20H26F3N5O4S
Molecular Weight489.52 g/mol
Exact Mass489.17
IUPAC NameN-[2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCC1CN(CC2CCOCC2)Cc2ccnn21)c1cscn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2S.C2HF3O2/c24-18(17-12-26-13-20-17)19-5-1-15-10-22(9-14-3-7-25-8-4-14)11-16-2-6-21-23(15)16;3-2(4,5)1(6)7/h2,6,12-15H,1,3-5,7-11H2,(H,19,24);(H,6,7)
InChIKeyUXTGJDSBKHMIQK-UHFFFAOYSA-N
XLogP2.58
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[5-(oxan-4-ylmethyl)-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 N-[2-[5-(oxan-4-ylmethyl)-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 N-[2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155824056) is N-[2-[5-(oxan-4-ylmethyl)-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 N-[2-[5-(oxan-4-ylmethyl)-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 N-[2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCC1CN(CC2CCOCC2)Cc2ccnn21)c1cscn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[5-(oxan-4-ylmethyl)-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 UXTGJDSBKHMIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S.C2HF3O2/c24-18(17-12-26-13-20-17)19-5-1-15-10-22(9-14-3-7-25-8-4-14)11-16-2-6-21-23(15)16;3-2(4,5)1(6)7/h2,6,12-15H,1,3-5,7-11H2,(H,19,24);(H,6,7).
What are the key properties of N-[2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-[5-(oxan-4-ylmethyl)-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 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(oxan-4-ylmethyl)-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 155824056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).