8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine

C24H24FN7 — CID 90850246

IUPAC8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2c1cc(-c2ccc(F)cc2)c2ncc(-c3ccnnc3)n2n1
InChIInChI=1S/C24H24FN7/c1-15(2)30-13-20-9-19(30)14-31(20)23-10-21(16-3-5-18(25)6-4-16)24-26-12-22(32(24)29-23)17-7-8-27-28-11-17/h3-8,10-12,15,19-20H,9,13-14H2,1-2H3/t19-,20-/m0/s1
InChIKeyRIWGNKUSCQHAGE-PMACEKPBSA-N
MW429.50 g/mol
LogP3.66
Rot. Bonds4

About 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine

8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 90850246) has the molecular formula C24H24FN7 and a molecular weight of 429.50 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
PubChem CID90850246
Molecular FormulaC24H24FN7
Molecular Weight429.50 g/mol
Exact Mass429.21
IUPAC Name8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
SMILESCC(C)N1C[C@@H]2C[C@H]1CN2c1cc(-c2ccc(F)cc2)c2ncc(-c3ccnnc3)n2n1
InChIInChI=1S/C24H24FN7/c1-15(2)30-13-20-9-19(30)14-31(20)23-10-21(16-3-5-18(25)6-4-16)24-26-12-22(32(24)29-23)17-7-8-27-28-11-17/h3-8,10-12,15,19-20H,9,13-14H2,1-2H3/t19-,20-/m0/s1
InChIKeyRIWGNKUSCQHAGE-PMACEKPBSA-N
XLogP3.66
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine (CID 90850246) is 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine is CC(C)N1C[C@@H]2C[C@H]1CN2c1cc(-c2ccc(F)cc2)c2ncc(-c3ccnnc3)n2n1.
What is the InChIKey of 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is RIWGNKUSCQHAGE-PMACEKPBSA-N. The full InChI is InChI=1S/C24H24FN7/c1-15(2)30-13-20-9-19(30)14-31(20)23-10-21(16-3-5-18(25)6-4-16)24-26-12-22(32(24)29-23)17-7-8-27-28-11-17/h3-8,10-12,15,19-20H,9,13-14H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine?
8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 429.50 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 90850246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).