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

C27H23F9N6O6 — CID 155828085

IUPAC6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1
InChIInChI=1S/C21H20N6.3C2HF3O2/c1-2-9-23-19(3-1)15-26-12-8-18(13-26)21-24-20-5-4-17(14-27(20)25-21)16-6-10-22-11-7-16;3*3-2(4,5)1(6)7/h1-7,9-11,14,18H,8,12-13,15H2;3*(H,6,7)
InChIKeySWVNKWHUWIAUIP-UHFFFAOYSA-N
MW698.50 g/mol
LogP5.08
Rot. Bonds4

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

6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155828085) has the molecular formula C27H23F9N6O6 and a molecular weight of 698.50 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
PubChem CID155828085
Molecular FormulaC27H23F9N6O6
Molecular Weight698.50 g/mol
Exact Mass698.15
IUPAC Name6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1
InChIInChI=1S/C21H20N6.3C2HF3O2/c1-2-9-23-19(3-1)15-26-12-8-18(13-26)21-24-20-5-4-17(14-27(20)25-21)16-6-10-22-11-7-16;3*3-2(4,5)1(6)7/h1-7,9-11,14,18H,8,12-13,15H2;3*(H,6,7)
InChIKeySWVNKWHUWIAUIP-UHFFFAOYSA-N
XLogP5.08
TPSA171.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.50
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(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 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid) (CID 155828085) is 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1.
What is the InChIKey of 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is SWVNKWHUWIAUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6.3C2HF3O2/c1-2-9-23-19(3-1)15-26-12-8-18(13-26)21-24-20-5-4-17(14-27(20)25-21)16-6-10-22-11-7-16;3*3-2(4,5)1(6)7/h1-7,9-11,14,18H,8,12-13,15H2;3*(H,6,7).
What are the key properties of 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)?
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 698.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155828085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).