3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

C17H12F3N9 — CID 53261748

IUPAC3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
SMILESFC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C17H12F3N9/c18-17(19,20)10-28-9-12(5-23-28)13-6-22-15-16(24-13)29(26-25-15)8-11-1-2-14-21-3-4-27(14)7-11/h1-7,9H,8,10H2
InChIKeyFLAOLXIVHDPGJX-UHFFFAOYSA-N
MW399.34 g/mol
LogP2.34
Rot. Bonds4

About 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine

3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (PubChem CID 53261748) has the molecular formula C17H12F3N9 and a molecular weight of 399.34 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
PubChem CID53261748
Molecular FormulaC17H12F3N9
Molecular Weight399.34 g/mol
Exact Mass399.12
IUPAC Name3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
SMILESFC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1
InChIInChI=1S/C17H12F3N9/c18-17(19,20)10-28-9-12(5-23-28)13-6-22-15-16(24-13)29(26-25-15)8-11-1-2-14-21-3-4-27(14)7-11/h1-7,9H,8,10H2
InChIKeyFLAOLXIVHDPGJX-UHFFFAOYSA-N
XLogP2.34
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine (CID 53261748) is 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5nccn5c4)c3n2)cn1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
The InChIKey is FLAOLXIVHDPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N9/c18-17(19,20)10-28-9-12(5-23-28)13-6-22-15-16(24-13)29(26-25-15)8-11-1-2-14-21-3-4-27(14)7-11/h1-7,9H,8,10H2.
What are the key properties of 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine?
3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine has a molecular weight of 399.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 53261748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).