3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

C18H24F3N3O3S — CID 118744228

IUPAC3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1cccs1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N3OS.C2HF3O2/c1-12(2)19-16-10-18(9-13-5-4-8-21-13)7-6-14(16)15(17-19)11-20-3;3-2(4,5)1(6)7/h4-5,8,12H,6-7,9-11H2,1-3H3;(H,6,7)
InChIKeyUIYDYVKCMGRHDV-UHFFFAOYSA-N
MW419.47 g/mol
LogP3.86
Rot. Bonds5

About 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118744228) has the molecular formula C18H24F3N3O3S and a molecular weight of 419.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118744228
Molecular FormulaC18H24F3N3O3S
Molecular Weight419.47 g/mol
Exact Mass419.15
IUPAC Name3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1cccs1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N3OS.C2HF3O2/c1-12(2)19-16-10-18(9-13-5-4-8-21-13)7-6-14(16)15(17-19)11-20-3;3-2(4,5)1(6)7/h4-5,8,12H,6-7,9-11H2,1-3H3;(H,6,7)
InChIKeyUIYDYVKCMGRHDV-UHFFFAOYSA-N
XLogP3.86
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (CID 118744228) is 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is COCc1nn(C(C)C)c2c1CCN(Cc1cccs1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is UIYDYVKCMGRHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS.C2HF3O2/c1-12(2)19-16-10-18(9-13-5-4-8-21-13)7-6-14(16)15(17-19)11-20-3;3-2(4,5)1(6)7/h4-5,8,12H,6-7,9-11H2,1-3H3;(H,6,7).
What are the key properties of 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 419.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-propan-2-yl-6-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).