N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide

C30H19FN8O — CID 118538658

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C30H19FN8O/c31-23-9-7-19(8-10-23)28-29(38-13-2-1-6-26(38)36-28)24-11-12-27-34-25(17-39(27)37-24)35-30(40)21-5-3-4-20(14-21)22-15-32-18-33-16-22/h1-18H,(H,35,40)
InChIKeyVISALIJVEJGJKG-UHFFFAOYSA-N
MW526.54 g/mol
LogP5.56
Rot. Bonds5

About N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide (PubChem CID 118538658) has the molecular formula C30H19FN8O and a molecular weight of 526.54 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]-3-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide
PubChem CID118538658
Molecular FormulaC30H19FN8O
Molecular Weight526.54 g/mol
Exact Mass526.17
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C30H19FN8O/c31-23-9-7-19(8-10-23)28-29(38-13-2-1-6-26(38)36-28)24-11-12-27-34-25(17-39(27)37-24)35-30(40)21-5-3-4-20(14-21)22-15-32-18-33-16-22/h1-18H,(H,35,40)
InChIKeyVISALIJVEJGJKG-UHFFFAOYSA-N
XLogP5.56
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.54
LogP ≤ 55.56
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]-3-pyrimidin-5-ylbenzamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide (CID 118538658) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide.
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]-3-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2cncnc2)c1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide?
The InChIKey is VISALIJVEJGJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19FN8O/c31-23-9-7-19(8-10-23)28-29(38-13-2-1-6-26(38)36-28)24-11-12-27-34-25(17-39(27)37-24)35-30(40)21-5-3-4-20(14-21)22-15-32-18-33-16-22/h1-18H,(H,35,40).
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]-3-pyrimidin-5-ylbenzamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyrimidin-5-ylbenzamide has a molecular weight of 526.54 g/mol, XLogP of 5.56, 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]-3-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 118538658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).