2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)

C23H29F6N5O4 — CID 155827756

IUPAC2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc2nc(C3CCCN(C4CCC4)C3)nn2cc1N1CCCC1
InChIInChI=1S/C19H27N5.2C2HF3O2/c1-2-11-22(10-1)17-8-9-18-20-19(21-24(18)14-17)15-5-4-12-23(13-15)16-6-3-7-16;2*3-2(4,5)1(6)7/h8-9,14-16H,1-7,10-13H2;2*(H,6,7)
InChIKeyJYWLLKBPJBGTNI-UHFFFAOYSA-N
MW553.50 g/mol
LogP4.33
Rot. Bonds3

About 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)

2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155827756) has the molecular formula C23H29F6N5O4 and a molecular weight of 553.50 g/mol. Its IUPAC name is 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155827756
Molecular FormulaC23H29F6N5O4
Molecular Weight553.50 g/mol
Exact Mass553.21
IUPAC Name2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc2nc(C3CCCN(C4CCC4)C3)nn2cc1N1CCCC1
InChIInChI=1S/C19H27N5.2C2HF3O2/c1-2-11-22(10-1)17-8-9-18-20-19(21-24(18)14-17)15-5-4-12-23(13-15)16-6-3-7-16;2*3-2(4,5)1(6)7/h8-9,14-16H,1-7,10-13H2;2*(H,6,7)
InChIKeyJYWLLKBPJBGTNI-UHFFFAOYSA-N
XLogP4.33
TPSA111.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155839671
2-(1-ethylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 155830086
4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695440
4-(2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155844712
cyclopropyl-[2-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155861466
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828673
4-[2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695279
4-[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155848353
(2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
CID 131671563
4-[2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695646
4-[2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826344
[3-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827684

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 155827756) is 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc2nc(C3CCCN(C4CCC4)C3)nn2cc1N1CCCC1.
What is the InChIKey of 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JYWLLKBPJBGTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.2C2HF3O2/c1-2-11-22(10-1)17-8-9-18-20-19(21-24(18)14-17)15-5-4-12-23(13-15)16-6-3-7-16;2*3-2(4,5)1(6)7/h8-9,14-16H,1-7,10-13H2;2*(H,6,7).
What are the key properties of 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 553.50 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155827756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).