2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol

C19H14F3N5O — CID 10271398

IUPAC2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1
InChIInChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3
InChIKeyPFJHXYJLEIZLGQ-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.50
Rot. Bonds3

About 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol

2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol (PubChem CID 10271398) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol
PubChem CID10271398
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1
InChIInChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3
InChIKeyPFJHXYJLEIZLGQ-UHFFFAOYSA-N
XLogP3.50
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol?
The IUPAC name of 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol (CID 10271398) is 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol is CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1.
What is the InChIKey of 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol?
The InChIKey is PFJHXYJLEIZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-19(2,28)16-9-25-27-15(8-24-18(27)26-16)10-3-4-13(21)12(5-10)17-14(22)6-11(20)7-23-17/h3-9,28H,1-2H3.
What are the key properties of 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol?
2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol has a molecular weight of 385.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]imidazo[1,2-b][1,2,4]triazin-3-yl]propan-2-ol is sourced from PubChem (CID 10271398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).