5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H10FN7O — CID 70925759

IUPAC5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cc3n[nH]nc3cc2F)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C17H10FN7O/c18-11-6-15-14(22-24-23-15)5-9(11)13-7-16(26)25-17(21-13)10(8-20-25)12-3-1-2-4-19-12/h1-8,20H,(H,22,23,24)
InChIKeyDVZLXLRDVAPTLB-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.16
Rot. Bonds2

About 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925759) has the molecular formula C17H10FN7O and a molecular weight of 347.31 g/mol. Its IUPAC name is 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925759
Molecular FormulaC17H10FN7O
Molecular Weight347.31 g/mol
Exact Mass347.09
IUPAC Name5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2cc3n[nH]nc3cc2F)nc2c(-c3ccccn3)c[nH]n12
InChIInChI=1S/C17H10FN7O/c18-11-6-15-14(22-24-23-15)5-9(11)13-7-16(26)25-17(21-13)10(8-20-25)12-3-1-2-4-19-12/h1-8,20H,(H,22,23,24)
InChIKeyDVZLXLRDVAPTLB-UHFFFAOYSA-N
XLogP2.16
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925759) is 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2cc3n[nH]nc3cc2F)nc2c(-c3ccccn3)c[nH]n12.
What is the InChIKey of 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DVZLXLRDVAPTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN7O/c18-11-6-15-14(22-24-23-15)5-9(11)13-7-16(26)25-17(21-13)10(8-20-25)12-3-1-2-4-19-12/h1-8,20H,(H,22,23,24).
What are the key properties of 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 347.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).