6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one

C20H21FN4O2 — CID 23625925

IUPAC6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21
InChIInChI=1S/C20H21FN4O2/c21-14-1-2-15-19(9-14)27-24-20(15)13-3-5-25(6-4-13)11-12-7-17-16(10-22-23-17)18(26)8-12/h1-2,9-10,12-13H,3-8,11H2,(H,22,23)
InChIKeyGQVQHZLEHMPPJD-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.31
Rot. Bonds3

About 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one

6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 23625925) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one
PubChem CID23625925
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21
InChIInChI=1S/C20H21FN4O2/c21-14-1-2-15-19(9-14)27-24-20(15)13-3-5-25(6-4-13)11-12-7-17-16(10-22-23-17)18(26)8-12/h1-2,9-10,12-13H,3-8,11H2,(H,22,23)
InChIKeyGQVQHZLEHMPPJD-UHFFFAOYSA-N
XLogP3.31
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one (CID 23625925) is 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one is O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2[nH]ncc21.
What is the InChIKey of 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is GQVQHZLEHMPPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-14-1-2-15-19(9-14)27-24-20(15)13-3-5-25(6-4-13)11-12-7-17-16(10-22-23-17)18(26)8-12/h1-2,9-10,12-13H,3-8,11H2,(H,22,23).
What are the key properties of 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one?
6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 368.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 23625925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).