4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine

C20H18FN5 — CID 155517828

IUPAC4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine
SMILESCc1cc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)ccn1
InChIInChI=1S/C20H18FN5/c1-12(2)26-11-23-19-17(10-24-25-20(19)26)14-4-5-18(21)16(9-14)15-6-7-22-13(3)8-15/h4-12H,1-3H3
InChIKeyMULAMDQJPBSZIO-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.58
Rot. Bonds3

About 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine

4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine (PubChem CID 155517828) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine
PubChem CID155517828
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine
SMILESCc1cc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)ccn1
InChIInChI=1S/C20H18FN5/c1-12(2)26-11-23-19-17(10-24-25-20(19)26)14-4-5-18(21)16(9-14)15-6-7-22-13(3)8-15/h4-12H,1-3H3
InChIKeyMULAMDQJPBSZIO-UHFFFAOYSA-N
XLogP4.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine?
The IUPAC name of 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine (CID 155517828) is 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine.
What is the SMILES notation for 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine?
The canonical SMILES for 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine is Cc1cc(-c2cc(-c3cnnc4c3ncn4C(C)C)ccc2F)ccn1.
What is the InChIKey of 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine?
The InChIKey is MULAMDQJPBSZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c1-12(2)26-11-23-19-17(10-24-25-20(19)26)14-4-5-18(21)16(9-14)15-6-7-22-13(3)8-15/h4-12H,1-3H3.
What are the key properties of 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine?
4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine has a molecular weight of 347.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(2-methyl-4-pyridinyl)phenyl]-7-propan-2-ylimidazo[4,5-c]pyridazine is sourced from PubChem (CID 155517828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).