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

C23H24F4N4O2 — CID 155829349

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESFc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23FN4.C2HF3O2/c22-19-3-1-2-17(12-19)18-6-7-20-23-21(24-26(20)14-18)16-8-10-25(11-9-16)13-15-4-5-15;3-2(4,5)1(6)7/h1-3,6-7,12,14-16H,4-5,8-11,13H2;(H,6,7)
InChIKeyJCPAIJHIFJTYPA-UHFFFAOYSA-N
MW464.46 g/mol
LogP4.76
Rot. Bonds4

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

2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 155829349) has the molecular formula C23H24F4N4O2 and a molecular weight of 464.46 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID155829349
Molecular FormulaC23H24F4N4O2
Molecular Weight464.46 g/mol
Exact Mass464.18
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESFc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23FN4.C2HF3O2/c22-19-3-1-2-17(12-19)18-6-7-20-23-21(24-26(20)14-18)16-8-10-25(11-9-16)13-15-4-5-15;3-2(4,5)1(6)7/h1-3,6-7,12,14-16H,4-5,8-11,13H2;(H,6,7)
InChIKeyJCPAIJHIFJTYPA-UHFFFAOYSA-N
XLogP4.76
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 155829349) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[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-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is Fc1cccc(-c2ccc3nc(C4CCN(CC5CC5)CC4)nn3c2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is JCPAIJHIFJTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4.C2HF3O2/c22-19-3-1-2-17(12-19)18-6-7-20-23-21(24-26(20)14-18)16-8-10-25(11-9-16)13-15-4-5-15;3-2(4,5)1(6)7/h1-3,6-7,12,14-16H,4-5,8-11,13H2;(H,6,7).
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 464.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155829349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).