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

C20H14FN5 — CID 154705912

IUPAC2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine
SMILESCc1ccc2c(-c3cccc4[nH]ncc34)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C20H14FN5/c1-12-5-10-18-19(15-3-2-4-17-16(15)11-22-23-17)20(25-26(18)24-12)13-6-8-14(21)9-7-13/h2-11H,1H3,(H,22,23)
InChIKeyXVIVAMAUXUXWJJ-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.39
Rot. Bonds2

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

2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine (PubChem CID 154705912) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine
PubChem CID154705912
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine
SMILESCc1ccc2c(-c3cccc4[nH]ncc34)c(-c3ccc(F)cc3)nn2n1
InChIInChI=1S/C20H14FN5/c1-12-5-10-18-19(15-3-2-4-17-16(15)11-22-23-17)20(25-26(18)24-12)13-6-8-14(21)9-7-13/h2-11H,1H3,(H,22,23)
InChIKeyXVIVAMAUXUXWJJ-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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Related Compounds

4-Methyl-1H-indazole
CID 820806
7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445421
1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 150939945
5-fluoro-1-methyl-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine
CID 155151783
It-139
CID 25134754
4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11687579
4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735375
5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645447
6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645460
6-methyl-4-phenyl-1H-indazole
CID 127046306
7-(1H-Pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine
CID 142445389

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine (CID 154705912) is 2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine is Cc1ccc2c(-c3cccc4[nH]ncc34)c(-c3ccc(F)cc3)nn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine?
The InChIKey is XVIVAMAUXUXWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5/c1-12-5-10-18-19(15-3-2-4-17-16(15)11-22-23-17)20(25-26(18)24-12)13-6-8-14(21)9-7-13/h2-11H,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-3-(1H-indazol-4-yl)-6-methylpyrazolo[1,5-b]pyridazine?
2-(4-fluorophenyl)-3-(1H-indazol-4-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-4-yl)-6-methylpyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 154705912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).