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

C25H21FN6O2 — CID 118538796

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)C1CCOCC1
InChIInChI=1S/C25H21FN6O2/c26-18-6-4-16(5-7-18)23-24(31-12-2-1-3-21(31)29-23)19-8-9-22-27-20(15-32(22)30-19)28-25(33)17-10-13-34-14-11-17/h1-9,12,15,17H,10-11,13-14H2,(H,28,33)
InChIKeyYIIJGZBFLKJAEJ-UHFFFAOYSA-N
MW456.48 g/mol
LogP4.22
Rot. Bonds4

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

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide (PubChem CID 118538796) has the molecular formula C25H21FN6O2 and a molecular weight of 456.48 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]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide
PubChem CID118538796
Molecular FormulaC25H21FN6O2
Molecular Weight456.48 g/mol
Exact Mass456.17
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)C1CCOCC1
InChIInChI=1S/C25H21FN6O2/c26-18-6-4-16(5-7-18)23-24(31-12-2-1-3-21(31)29-23)19-8-9-22-27-20(15-32(22)30-19)28-25(33)17-10-13-34-14-11-17/h1-9,12,15,17H,10-11,13-14H2,(H,28,33)
InChIKeyYIIJGZBFLKJAEJ-UHFFFAOYSA-N
XLogP4.22
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]oxane-4-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide (CID 118538796) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide.
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]oxane-4-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)C1CCOCC1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide?
The InChIKey is YIIJGZBFLKJAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O2/c26-18-6-4-16(5-7-18)23-24(31-12-2-1-3-21(31)29-23)19-8-9-22-27-20(15-32(22)30-19)28-25(33)17-10-13-34-14-11-17/h1-9,12,15,17H,10-11,13-14H2,(H,28,33).
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]oxane-4-carboxamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]oxane-4-carboxamide is sourced from PubChem (CID 118538796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).