2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C21H23F3N4O2S — CID 118743704

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)cs1
InChIInChI=1S/C19H22N4S.C2HF3O2/c1-2-14(1)11-22-8-5-15(6-9-22)19-20-18-4-3-16(12-23(18)21-19)17-7-10-24-13-17;3-2(4,5)1(6)7/h3-4,7,10,12-15H,1-2,5-6,8-9,11H2;(H,6,7)
InChIKeyDBIQKSPVBKDXML-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.68
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118743704) has the molecular formula C21H23F3N4O2S and a molecular weight of 452.50 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118743704
Molecular FormulaC21H23F3N4O2S
Molecular Weight452.50 g/mol
Exact Mass452.15
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)cs1
InChIInChI=1S/C19H22N4S.C2HF3O2/c1-2-14(1)11-22-8-5-15(6-9-22)19-20-18-4-3-16(12-23(18)21-19)17-7-10-24-13-17;3-2(4,5)1(6)7/h3-4,7,10,12-15H,1-2,5-6,8-9,11H2;(H,6,7)
InChIKeyDBIQKSPVBKDXML-UHFFFAOYSA-N
XLogP4.68
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[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 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 118743704) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)cs1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is DBIQKSPVBKDXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S.C2HF3O2/c1-2-14(1)11-22-8-5-15(6-9-22)19-20-18-4-3-16(12-23(18)21-19)17-7-10-24-13-17;3-2(4,5)1(6)7/h3-4,7,10,12-15H,1-2,5-6,8-9,11H2;(H,6,7).
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 452.50 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).