2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine

C20H14FN5 — CID 154704701

IUPAC2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine
SMILESCc1ccc2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C20H14FN5/c1-12-2-9-18-19(14-3-4-15-11-22-23-17(15)10-14)20(25-26(18)24-12)13-5-7-16(21)8-6-13/h2-11H,1H3,(H,22,23)
InChIKeySSWWWJLNEROGGI-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.39
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine

2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine (PubChem CID 154704701) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine
PubChem CID154704701
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine
SMILESCc1ccc2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C20H14FN5/c1-12-2-9-18-19(14-3-4-15-11-22-23-17(15)10-14)20(25-26(18)24-12)13-5-7-16(21)8-6-13/h2-11H,1H3,(H,22,23)
InChIKeySSWWWJLNEROGGI-UHFFFAOYSA-N
XLogP4.39
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine (CID 154704701) is 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine is Cc1ccc2c(-c3ccc4cn[nH]c4c3)c(-c3ccc(F)cc3)nn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine?
The InChIKey is SSWWWJLNEROGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5/c1-12-2-9-18-19(14-3-4-15-11-22-23-17(15)10-14)20(25-26(18)24-12)13-5-7-16(21)8-6-13/h2-11H,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine?
2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine has a molecular weight of 343.37 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(1H-indazol-6-yl)-6-methylpyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 154704701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).