[3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid

C22H20FN7O2 — CID 146585440

IUPAC[3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
SMILESCc1cn2nc(-c3cc(F)c4cc(N5CC6C(C5)C6NC(=O)O)nnc4c3)cc(C)c2n1
InChIInChI=1S/C22H20FN7O2/c1-10-3-17(28-30-7-11(2)24-21(10)30)12-4-16(23)13-6-19(27-26-18(13)5-12)29-8-14-15(9-29)20(14)25-22(31)32/h3-7,14-15,20,25H,8-9H2,1-2H3,(H,31,32)
InChIKeySIHVIRCRZJSJJV-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.80
Rot. Bonds3

About [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid

[3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid (PubChem CID 146585440) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid.

Molecular Properties

Compound Name[3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
PubChem CID146585440
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name[3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
SMILESCc1cn2nc(-c3cc(F)c4cc(N5CC6C(C5)C6NC(=O)O)nnc4c3)cc(C)c2n1
InChIInChI=1S/C22H20FN7O2/c1-10-3-17(28-30-7-11(2)24-21(10)30)12-4-16(23)13-6-19(27-26-18(13)5-12)29-8-14-15(9-29)20(14)25-22(31)32/h3-7,14-15,20,25H,8-9H2,1-2H3,(H,31,32)
InChIKeySIHVIRCRZJSJJV-UHFFFAOYSA-N
XLogP2.80
TPSA108.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The IUPAC name of [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid (CID 146585440) is [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid.
What is the SMILES notation for [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The canonical SMILES for [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid is Cc1cn2nc(-c3cc(F)c4cc(N5CC6C(C5)C6NC(=O)O)nnc4c3)cc(C)c2n1.
What is the InChIKey of [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
The InChIKey is SIHVIRCRZJSJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-10-3-17(28-30-7-11(2)24-21(10)30)12-4-16(23)13-6-19(27-26-18(13)5-12)29-8-14-15(9-29)20(14)25-22(31)32/h3-7,14-15,20,25H,8-9H2,1-2H3,(H,31,32).
What are the key properties of [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid?
[3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid has a molecular weight of 433.45 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluorocinnolin-3-yl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid is sourced from PubChem (CID 146585440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).