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

C32H21FN8O — CID 118538928

IUPACN-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C32H21FN8O/c33-25-10-8-21(9-11-25)30-31(40(20-36-30)26-7-3-15-35-18-26)27-12-13-29-37-28(19-41(29)39-27)38-32(42)23-5-1-4-22(16-23)24-6-2-14-34-17-24/h1-20H,(H,38,42)
InChIKeyFEYLOTLJEYLMPM-UHFFFAOYSA-N
MW552.57 g/mol
LogP6.10
Rot. Bonds6

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

N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (PubChem CID 118538928) has the molecular formula C32H21FN8O and a molecular weight of 552.57 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
PubChem CID118538928
Molecular FormulaC32H21FN8O
Molecular Weight552.57 g/mol
Exact Mass552.18
IUPAC NameN-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C32H21FN8O/c33-25-10-8-21(9-11-25)30-31(40(20-36-30)26-7-3-15-35-18-26)27-12-13-29-37-28(19-41(29)39-27)38-32(42)23-5-1-4-22(16-23)24-6-2-14-34-17-24/h1-20H,(H,38,42)
InChIKeyFEYLOTLJEYLMPM-UHFFFAOYSA-N
XLogP6.10
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide (CID 118538928) is N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3-c3cccnc3)ccc2n1)c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is FEYLOTLJEYLMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21FN8O/c33-25-10-8-21(9-11-25)30-31(40(20-36-30)26-7-3-15-35-18-26)27-12-13-29-37-28(19-41(29)39-27)38-32(42)23-5-1-4-22(16-23)24-6-2-14-34-17-24/h1-20H,(H,38,42).
What are the key properties of N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide?
N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 552.57 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-3-pyridin-3-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118538928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).