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

C19H26F3N3O3S — CID 118744227

IUPAC3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1ccc(C)s1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3OS.C2HF3O2/c1-12(2)20-17-10-19(9-14-6-5-13(3)22-14)8-7-15(17)16(18-20)11-21-4;3-2(4,5)1(6)7/h5-6,12H,7-11H2,1-4H3;(H,6,7)
InChIKeyITDDEMDDMJABRO-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.17
Rot. Bonds5

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

3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118744227) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118744227
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC Name3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOCc1nn(C(C)C)c2c1CCN(Cc1ccc(C)s1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3OS.C2HF3O2/c1-12(2)20-17-10-19(9-14-6-5-13(3)22-14)8-7-15(17)16(18-20)11-21-4;3-2(4,5)1(6)7/h5-6,12H,7-11H2,1-4H3;(H,6,7)
InChIKeyITDDEMDDMJABRO-UHFFFAOYSA-N
XLogP4.17
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (CID 118744227) is 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is COCc1nn(C(C)C)c2c1CCN(Cc1ccc(C)s1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is ITDDEMDDMJABRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS.C2HF3O2/c1-12(2)20-17-10-19(9-14-6-5-13(3)22-14)8-7-15(17)16(18-20)11-21-4;3-2(4,5)1(6)7/h5-6,12H,7-11H2,1-4H3;(H,6,7).
What are the key properties of 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 433.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-[(5-methylthiophen-2-yl)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).