7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine

C26H17F2N7 — CID 146490642

IUPAC7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESC1=CC2=C(C=CC(=C2)C3=C(N=C(N4C3=NC(=N4)CC5=C(C=CC=N5)F)N)C6=CC=C(C=C6)F)N=C1
InChIInChI=1S/C26H17F2N7/c27-18-8-5-15(6-9-18)24-23(17-7-10-20-16(13-17)3-1-11-30-20)25-32-22(34-35(25)26(29)33-24)14-21-19(28)4-2-12-31-21/h1-13H,14H2,(H2,29,33)
InChIKeyLPIJJPHNJFECSA-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.40
Rot. Bonds4

About 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine

7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine (PubChem CID 146490642) has the molecular formula C26H17F2N7 and a molecular weight of 465.50 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine
PubChem CID146490642
Molecular FormulaC26H17F2N7
Molecular Weight465.50 g/mol
Exact Mass465.15
IUPAC Name7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESC1=CC2=C(C=CC(=C2)C3=C(N=C(N4C3=NC(=N4)CC5=C(C=CC=N5)F)N)C6=CC=C(C=C6)F)N=C1
InChIInChI=1S/C26H17F2N7/c27-18-8-5-15(6-9-18)24-23(17-7-10-20-16(13-17)3-1-11-30-20)25-32-22(34-35(25)26(29)33-24)14-21-19(28)4-2-12-31-21/h1-13H,14H2,(H2,29,33)
InChIKeyLPIJJPHNJFECSA-UHFFFAOYSA-N
XLogP4.40
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity707

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-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 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine?
The IUPAC name of 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine (CID 146490642) is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine?
The canonical SMILES for 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine is C1=CC2=C(C=CC(=C2)C3=C(N=C(N4C3=NC(=N4)CC5=C(C=CC=N5)F)N)C6=CC=C(C=C6)F)N=C1.
What is the InChIKey of 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine?
The InChIKey is LPIJJPHNJFECSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N7/c27-18-8-5-15(6-9-18)24-23(17-7-10-20-16(13-17)3-1-11-30-20)25-32-22(34-35(25)26(29)33-24)14-21-19(28)4-2-12-31-21/h1-13H,14H2,(H2,29,33).
What are the key properties of 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine?
7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine has a molecular weight of 465.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-Fluorophenyl)-2-((3-fluoropyridin-2-yl) methyl)-8-(quinolin-6-yl)-[l,2,4]triazolo[l,5-c] pyrimidin-5-amine is sourced from PubChem (CID 146490642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).