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

C23H15F2N9 — CID 146490907

IUPAC7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C23H15F2N9/c24-15-6-3-13(4-7-15)21-20(14-5-8-19-31-28-12-33(19)11-14)22-29-18(32-34(22)23(26)30-21)10-17-16(25)2-1-9-27-17/h1-9,11-12H,10H2,(H2,26,30)
InChIKeyQIDWKSGXTFVNFQ-UHFFFAOYSA-N
MW455.43 g/mol
LogP3.35
Rot. Bonds4

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

7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490907) has the molecular formula C23H15F2N9 and a molecular weight of 455.43 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-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-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490907
Molecular FormulaC23H15F2N9
Molecular Weight455.43 g/mol
Exact Mass455.14
IUPAC Name7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C23H15F2N9/c24-15-6-3-13(4-7-15)21-20(14-5-8-19-31-28-12-33(19)11-14)22-29-18(32-34(22)23(26)30-21)10-17-16(25)2-1-9-27-17/h1-9,11-12H,10H2,(H2,26,30)
InChIKeyQIDWKSGXTFVNFQ-UHFFFAOYSA-N
XLogP3.35
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-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-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490907) is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-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-([1,2,4]triazolo[4,3-a]pyridin-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-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is QIDWKSGXTFVNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N9/c24-15-6-3-13(4-7-15)21-20(14-5-8-19-31-28-12-33(19)11-14)22-29-18(32-34(22)23(26)30-21)10-17-16(25)2-1-9-27-17/h1-9,11-12H,10H2,(H2,26,30).
What are the key properties of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 455.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).