7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-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
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c2nc(Cc3ncccc3F)nn12
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
MW465.47 g/mol
LogP4.85
Rot. Bonds4

About 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490642) has the molecular formula C26H17F2N7 and a molecular weight of 465.47 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-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490642
Molecular FormulaC26H17F2N7
Molecular Weight465.47 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
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c2nc(Cc3ncccc3F)nn12
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
XLogP4.85
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-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-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-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-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 465.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-quinolin-6-yl-[1,2,4]triazolo[1,5-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).