1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C22H22F3N5O2S — CID 155851311

IUPAC1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCCC2c2ncn3cc(-c4cccs4)ccc23)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N5S.C2HF3O2/c1-23-11-15(10-22-23)12-24-8-2-4-17(24)20-18-7-6-16(13-25(18)14-21-20)19-5-3-9-26-19;3-2(4,5)1(6)7/h3,5-7,9-11,13-14,17H,2,4,8,12H2,1H3;(H,6,7)
InChIKeyULLFYIHMOLMUIO-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.77
Rot. Bonds4

About 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155851311) has the molecular formula C22H22F3N5O2S and a molecular weight of 477.51 g/mol. Its IUPAC name is 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155851311
Molecular FormulaC22H22F3N5O2S
Molecular Weight477.51 g/mol
Exact Mass477.14
IUPAC Name1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCn1cc(CN2CCCC2c2ncn3cc(-c4cccs4)ccc23)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N5S.C2HF3O2/c1-23-11-15(10-22-23)12-24-8-2-4-17(24)20-18-7-6-16(13-25(18)14-21-20)19-5-3-9-26-19;3-2(4,5)1(6)7/h3,5-7,9-11,13-14,17H,2,4,8,12H2,1H3;(H,6,7)
InChIKeyULLFYIHMOLMUIO-UHFFFAOYSA-N
XLogP4.77
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 155851311) is 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is Cn1cc(CN2CCCC2c2ncn3cc(-c4cccs4)ccc23)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is ULLFYIHMOLMUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S.C2HF3O2/c1-23-11-15(10-22-23)12-24-8-2-4-17(24)20-18-7-6-16(13-25(18)14-21-20)19-5-3-9-26-19;3-2(4,5)1(6)7/h3,5-7,9-11,13-14,17H,2,4,8,12H2,1H3;(H,6,7).
What are the key properties of 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 477.51 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-thiophen-2-ylimidazo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155851311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).