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

C25H22FN7O2 — CID 90241325

IUPACN-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccc(N5CCOCC5)cn34)ccc2n1
InChIInChI=1S/C25H22FN7O2/c1-16(34)27-21-15-33-23(28-21)9-7-20(30-33)25-24(17-2-4-18(26)5-3-17)29-22-8-6-19(14-32(22)25)31-10-12-35-13-11-31/h2-9,14-15H,10-13H2,1H3,(H,27,34)
InChIKeyMLGPPSHORPQGDH-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.65
Rot. Bonds4

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

N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 90241325) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID90241325
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC NameN-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccc(N5CCOCC5)cn34)ccc2n1
InChIInChI=1S/C25H22FN7O2/c1-16(34)27-21-15-33-23(28-21)9-7-20(30-33)25-24(17-2-4-18(26)5-3-17)29-22-8-6-19(14-32(22)25)31-10-12-35-13-11-31/h2-9,14-15H,10-13H2,1H3,(H,27,34)
InChIKeyMLGPPSHORPQGDH-UHFFFAOYSA-N
XLogP3.65
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.65
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)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 90241325) is N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is CC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccc(N5CCOCC5)cn34)ccc2n1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is MLGPPSHORPQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-16(34)27-21-15-33-23(28-21)9-7-20(30-33)25-24(17-2-4-18(26)5-3-17)29-22-8-6-19(14-32(22)25)31-10-12-35-13-11-31/h2-9,14-15H,10-13H2,1H3,(H,27,34).
What are the key properties of N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
N-[6-[2-(4-fluorophenyl)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 471.50 g/mol, XLogP of 3.65, 4 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)-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 90241325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).