4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile

C19H14FN7O — CID 10292839

IUPAC4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile
SMILESCC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncncc4C#N)c3)cnc2n1
InChIInChI=1S/C19H14FN7O/c1-19(2,28)16-9-25-27-15(8-23-18(27)26-16)11-3-4-14(20)13(5-11)17-12(6-21)7-22-10-24-17/h3-5,7-10,28H,1-2H3
InChIKeyVSZZYAJBIGSJJF-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.49
Rot. Bonds3

About 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile

4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile (PubChem CID 10292839) has the molecular formula C19H14FN7O and a molecular weight of 375.37 g/mol. Its IUPAC name is 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile
PubChem CID10292839
Molecular FormulaC19H14FN7O
Molecular Weight375.37 g/mol
Exact Mass375.12
IUPAC Name4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile
SMILESCC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncncc4C#N)c3)cnc2n1
InChIInChI=1S/C19H14FN7O/c1-19(2,28)16-9-25-27-15(8-23-18(27)26-16)11-3-4-14(20)13(5-11)17-12(6-21)7-22-10-24-17/h3-5,7-10,28H,1-2H3
InChIKeyVSZZYAJBIGSJJF-UHFFFAOYSA-N
XLogP2.49
TPSA112.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile (CID 10292839) is 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile is CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ncncc4C#N)c3)cnc2n1.
What is the InChIKey of 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile?
The InChIKey is VSZZYAJBIGSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O/c1-19(2,28)16-9-25-27-15(8-23-18(27)26-16)11-3-4-14(20)13(5-11)17-12(6-21)7-22-10-24-17/h3-5,7-10,28H,1-2H3.
What are the key properties of 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile?
4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile has a molecular weight of 375.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 10292839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).