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

C31H20FN7O — CID 118538623

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C31H20FN7O/c32-24-11-9-20(10-12-24)29-30(38-16-2-1-8-27(38)36-29)25-13-14-28-34-26(19-39(28)37-25)35-31(40)22-6-3-5-21(17-22)23-7-4-15-33-18-23/h1-19H,(H,35,40)
InChIKeyGKNWQTIEGKVOEC-UHFFFAOYSA-N
MW525.55 g/mol
LogP6.16
Rot. Bonds5

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

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (PubChem CID 118538623) has the molecular formula C31H20FN7O and a molecular weight of 525.55 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-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
PubChem CID118538623
Molecular FormulaC31H20FN7O
Molecular Weight525.55 g/mol
Exact Mass525.17
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C31H20FN7O/c32-24-11-9-20(10-12-24)29-30(38-16-2-1-8-27(38)36-29)25-13-14-28-34-26(19-39(28)37-25)35-31(40)22-6-3-5-21(17-22)23-7-4-15-33-18-23/h1-19H,(H,35,40)
InChIKeyGKNWQTIEGKVOEC-UHFFFAOYSA-N
XLogP6.16
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.55
LogP ≤ 56.16
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]-3-pyridin-3-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-pyridin-3-ylbenzamide (CID 118538623) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-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-pyridin-3-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-pyridin-3-ylbenzamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cccc(-c2cccnc2)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-pyridin-3-ylbenzamide?
The InChIKey is GKNWQTIEGKVOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20FN7O/c32-24-11-9-20(10-12-24)29-30(38-16-2-1-8-27(38)36-29)25-13-14-28-34-26(19-39(28)37-25)35-31(40)22-6-3-5-21(17-22)23-7-4-15-33-18-23/h1-19H,(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-pyridin-3-ylbenzamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 525.55 g/mol, XLogP of 6.16, 5 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]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118538623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).