7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine

C18H19FN2 — CID 174483495

IUPAC7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine
SMILESCCc1ccc2c(-c3ccc(F)cc3)cc(C(C)C)nn12
InChIInChI=1S/C18H19FN2/c1-4-15-9-10-18-16(13-5-7-14(19)8-6-13)11-17(12(2)3)20-21(15)18/h5-12H,4H2,1-3H3
InChIKeySITHLEWDJLDURU-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.83
Rot. Bonds3

About 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine

7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine (PubChem CID 174483495) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine.

Molecular Properties

Compound Name7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine
PubChem CID174483495
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine
SMILESCCc1ccc2c(-c3ccc(F)cc3)cc(C(C)C)nn12
InChIInChI=1S/C18H19FN2/c1-4-15-9-10-18-16(13-5-7-14(19)8-6-13)11-17(12(2)3)20-21(15)18/h5-12H,4H2,1-3H3
InChIKeySITHLEWDJLDURU-UHFFFAOYSA-N
XLogP4.83
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine?
The IUPAC name of 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine (CID 174483495) is 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine.
What is the SMILES notation for 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine?
The canonical SMILES for 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine is CCc1ccc2c(-c3ccc(F)cc3)cc(C(C)C)nn12.
What is the InChIKey of 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine?
The InChIKey is SITHLEWDJLDURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-4-15-9-10-18-16(13-5-7-14(19)8-6-13)11-17(12(2)3)20-21(15)18/h5-12H,4H2,1-3H3.
What are the key properties of 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine?
7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine has a molecular weight of 282.36 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine is sourced from PubChem (CID 174483495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).