(3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid

C21H21F3N4O4S — CID 155828053

IUPAC(3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccsc1C(=O)N1Cc2ccnn2C(COCc2ccccn2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N4O2S.C2HF3O2/c1-14-6-9-26-18(14)19(24)22-10-16-5-8-21-23(16)17(11-22)13-25-12-15-4-2-3-7-20-15;3-2(4,5)1(6)7/h2-9,17H,10-13H2,1H3;(H,6,7)
InChIKeyFJTNSVOENLKHGJ-UHFFFAOYSA-N
MW482.48 g/mol
LogP3.70
Rot. Bonds5

About (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid

(3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155828053) has the molecular formula C21H21F3N4O4S and a molecular weight of 482.48 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155828053
Molecular FormulaC21H21F3N4O4S
Molecular Weight482.48 g/mol
Exact Mass482.12
IUPAC Name(3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ccsc1C(=O)N1Cc2ccnn2C(COCc2ccccn2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N4O2S.C2HF3O2/c1-14-6-9-26-18(14)19(24)22-10-16-5-8-21-23(16)17(11-22)13-25-12-15-4-2-3-7-20-15;3-2(4,5)1(6)7/h2-9,17H,10-13H2,1H3;(H,6,7)
InChIKeyFJTNSVOENLKHGJ-UHFFFAOYSA-N
XLogP3.70
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-3-ylmethanone
CID 97458442
[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 118743623
[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 118744214
N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118743000
[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 118743622
[1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744213
[1-ethyl-7-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744706
1-methyl-5-[(5-methylthiophen-2-yl)methyl]-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 118745873
3-(pyridin-3-ylmethoxymethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746028
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate
CID 21027439
Ethyl 2-[3-[(2-thiophen-2-ylacetyl)amino]propyl]-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxylate;2,2,2-trifluoroacetic acid
CID 69895722
1-methyl-5-[4-[methyl-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]carbamoyl]thiophen-2-yl]pyrazole-4-carboxamide
CID 177307847

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid (CID 155828053) is (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid is Cc1ccsc1C(=O)N1Cc2ccnn2C(COCc2ccccn2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is FJTNSVOENLKHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C2HF3O2/c1-14-6-9-26-18(14)19(24)22-10-16-5-8-21-23(16)17(11-22)13-25-12-15-4-2-3-7-20-15;3-2(4,5)1(6)7/h2-9,17H,10-13H2,1H3;(H,6,7).
What are the key properties of (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid?
(3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 482.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).