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

C24H16F3N9O — CID 155371229

IUPAC2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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(Cc3ncccc3OC(F)F)nn12
InChIInChI=1S/C24H16F3N9O/c25-15-6-3-13(4-7-15)21-20(14-5-8-19-33-30-12-35(19)11-14)22-31-18(34-36(22)24(28)32-21)10-16-17(37-23(26)27)2-1-9-29-16/h1-9,11-12,23H,10H2,(H2,28,32)
InChIKeyKYCYXWHIIAISQF-UHFFFAOYSA-N
MW503.45 g/mol
LogP3.81
Rot. Bonds6

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

2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 155371229) has the molecular formula C24H16F3N9O and a molecular weight of 503.45 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID155371229
Molecular FormulaC24H16F3N9O
Molecular Weight503.45 g/mol
Exact Mass503.14
IUPAC Name2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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(Cc3ncccc3OC(F)F)nn12
InChIInChI=1S/C24H16F3N9O/c25-15-6-3-13(4-7-15)21-20(14-5-8-19-33-30-12-35(19)11-14)22-31-18(34-36(22)24(28)32-21)10-16-17(37-23(26)27)2-1-9-29-16/h1-9,11-12,23H,10H2,(H2,28,32)
InChIKeyKYCYXWHIIAISQF-UHFFFAOYSA-N
XLogP3.81
TPSA121.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 155371229) is 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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(Cc3ncccc3OC(F)F)nn12.
What is the InChIKey of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is KYCYXWHIIAISQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N9O/c25-15-6-3-13(4-7-15)21-20(14-5-8-19-33-30-12-35(19)11-14)22-31-18(34-36(22)24(28)32-21)10-16-17(37-23(26)27)2-1-9-29-16/h1-9,11-12,23H,10H2,(H2,28,32).
What are the key properties of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-8-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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 503.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-7-(4-fluorophenyl)-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 155371229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).