N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide

C25H22FN7O2 — CID 118538631

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
InChIInChI=1S/C25H22FN7O2/c26-18-6-4-17(5-7-18)24-25(32-10-2-1-3-21(32)29-24)19-8-9-22-27-20(15-33(22)30-19)28-23(34)16-31-11-13-35-14-12-31/h1-10,15H,11-14,16H2,(H,28,34)
InChIKeyITKIOSUEVZNTGK-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.12
Rot. Bonds5

About N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide (PubChem CID 118538631) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide
PubChem CID118538631
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1
InChIInChI=1S/C25H22FN7O2/c26-18-6-4-17(5-7-18)24-25(32-10-2-1-3-21(32)29-24)19-8-9-22-27-20(15-33(22)30-19)28-23(34)16-31-11-13-35-14-12-31/h1-10,15H,11-14,16H2,(H,28,34)
InChIKeyITKIOSUEVZNTGK-UHFFFAOYSA-N
XLogP3.12
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide (CID 118538631) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide?
The InChIKey is ITKIOSUEVZNTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c26-18-6-4-17(5-7-18)24-25(32-10-2-1-3-21(32)29-24)19-8-9-22-27-20(15-33(22)30-19)28-23(34)16-31-11-13-35-14-12-31/h1-10,15H,11-14,16H2,(H,28,34).
What are the key properties of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide has a molecular weight of 471.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 118538631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).