1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol

C19H19FN6O — CID 91086004

IUPAC1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cn1
InChIInChI=1S/C19H19FN6O/c1-19(2,27)12-25-11-15(10-21-25)22-18-23-17-16(7-4-8-26(17)24-18)13-5-3-6-14(20)9-13/h3-11,27H,12H2,1-2H3,(H,22,24)
InChIKeyVFUKABFJJOBFMV-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.25
Rot. Bonds5

About 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 91086004) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID91086004
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cn1
InChIInChI=1S/C19H19FN6O/c1-19(2,27)12-25-11-15(10-21-25)22-18-23-17-16(7-4-8-26(17)24-18)13-5-3-6-14(20)9-13/h3-11,27H,12H2,1-2H3,(H,22,24)
InChIKeyVFUKABFJJOBFMV-UHFFFAOYSA-N
XLogP3.25
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol (CID 91086004) is 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(Nc2nc3c(-c4cccc(F)c4)cccn3n2)cn1.
What is the InChIKey of 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is VFUKABFJJOBFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-19(2,27)12-25-11-15(10-21-25)22-18-23-17-16(7-4-8-26(17)24-18)13-5-3-6-14(20)9-13/h3-11,27H,12H2,1-2H3,(H,22,24).
What are the key properties of 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 366.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 91086004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).