2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine

C17H13F2N7O2 — CID 118661041

IUPAC2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine
SMILESCCn1c(-n2ncnc2N)nc2cncc(-c3cccc4c3OC(F)(F)O4)c21
InChIInChI=1S/C17H13F2N7O2/c1-2-25-13-10(9-4-3-5-12-14(9)28-17(18,19)27-12)6-21-7-11(13)24-16(25)26-15(20)22-8-23-26/h3-8H,2H2,1H3,(H2,20,22,23)
InChIKeyAYUCLYAEAPTDHF-UHFFFAOYSA-N
MW385.33 g/mol
LogP2.60
Rot. Bonds3

About 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine

2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine (PubChem CID 118661041) has the molecular formula C17H13F2N7O2 and a molecular weight of 385.33 g/mol. Its IUPAC name is 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine
PubChem CID118661041
Molecular FormulaC17H13F2N7O2
Molecular Weight385.33 g/mol
Exact Mass385.11
IUPAC Name2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine
SMILESCCn1c(-n2ncnc2N)nc2cncc(-c3cccc4c3OC(F)(F)O4)c21
InChIInChI=1S/C17H13F2N7O2/c1-2-25-13-10(9-4-3-5-12-14(9)28-17(18,19)27-12)6-21-7-11(13)24-16(25)26-15(20)22-8-23-26/h3-8H,2H2,1H3,(H2,20,22,23)
InChIKeyAYUCLYAEAPTDHF-UHFFFAOYSA-N
XLogP2.60
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine 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-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine?
The IUPAC name of 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine (CID 118661041) is 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine is CCn1c(-n2ncnc2N)nc2cncc(-c3cccc4c3OC(F)(F)O4)c21.
What is the InChIKey of 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine?
The InChIKey is AYUCLYAEAPTDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N7O2/c1-2-25-13-10(9-4-3-5-12-14(9)28-17(18,19)27-12)6-21-7-11(13)24-16(25)26-15(20)22-8-23-26/h3-8H,2H2,1H3,(H2,20,22,23).
What are the key properties of 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine?
2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine has a molecular weight of 385.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 118661041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).