(8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one

C20H15FN4O2 — CID 26182804

IUPAC(8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
SMILESCc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccco1)C3
InChIInChI=1S/C20H15FN4O2/c1-11-18(12-4-6-14(21)7-5-12)20-23-22-19-15(25(20)24-11)9-13(10-16(19)26)17-3-2-8-27-17/h2-8,13H,9-10H2,1H3/t13-/m1/s1
InChIKeyMUJSHIMCIHEIHW-CYBMUJFWSA-N
MW362.36 g/mol
LogP3.74
Rot. Bonds2

About (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one

(8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one (PubChem CID 26182804) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one.

Molecular Properties

Compound Name(8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
PubChem CID26182804
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name(8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
SMILESCc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccco1)C3
InChIInChI=1S/C20H15FN4O2/c1-11-18(12-4-6-14(21)7-5-12)20-23-22-19-15(25(20)24-11)9-13(10-16(19)26)17-3-2-8-27-17/h2-8,13H,9-10H2,1H3/t13-/m1/s1
InChIKeyMUJSHIMCIHEIHW-CYBMUJFWSA-N
XLogP3.74
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The IUPAC name of (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one (CID 26182804) is (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one.
What is the SMILES notation for (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The canonical SMILES for (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one is Cc1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccco1)C3.
What is the InChIKey of (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
The InChIKey is MUJSHIMCIHEIHW-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-11-18(12-4-6-14(21)7-5-12)20-23-22-19-15(25(20)24-11)9-13(10-16(19)26)17-3-2-8-27-17/h2-8,13H,9-10H2,1H3/t13-/m1/s1.
What are the key properties of (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one?
(8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one has a molecular weight of 362.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one is sourced from PubChem (CID 26182804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).