5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol

C20H22FN7O — CID 139536941

IUPAC5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol
SMILESCN1CCC2(CC1)CN(c1ncc(-c3ccc(-c4cn[nH]c4F)cc3O)nn1)C2
InChIInChI=1S/C20H22FN7O/c1-27-6-4-20(5-7-27)11-28(12-20)19-22-10-16(24-26-19)14-3-2-13(8-17(14)29)15-9-23-25-18(15)21/h2-3,8-10,29H,4-7,11-12H2,1H3,(H,23,25)
InChIKeyVSLMVIXXSLZXIZ-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.31
Rot. Bonds3

About 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol

5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol (PubChem CID 139536941) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol
PubChem CID139536941
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol
SMILESCN1CCC2(CC1)CN(c1ncc(-c3ccc(-c4cn[nH]c4F)cc3O)nn1)C2
InChIInChI=1S/C20H22FN7O/c1-27-6-4-20(5-7-27)11-28(12-20)19-22-10-16(24-26-19)14-3-2-13(8-17(14)29)15-9-23-25-18(15)21/h2-3,8-10,29H,4-7,11-12H2,1H3,(H,23,25)
InChIKeyVSLMVIXXSLZXIZ-UHFFFAOYSA-N
XLogP2.31
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol (CID 139536941) is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol is CN1CCC2(CC1)CN(c1ncc(-c3ccc(-c4cn[nH]c4F)cc3O)nn1)C2.
What is the InChIKey of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol?
The InChIKey is VSLMVIXXSLZXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-27-6-4-20(5-7-27)11-28(12-20)19-22-10-16(24-26-19)14-3-2-13(8-17(14)29)15-9-23-25-18(15)21/h2-3,8-10,29H,4-7,11-12H2,1H3,(H,23,25).
What are the key properties of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol?
5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol has a molecular weight of 395.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 139536941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).