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

C32H19FN8O — CID 118538741

IUPAC5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cncc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)cc1
InChIInChI=1S/C32H19FN8O/c33-25-10-8-22(9-11-25)30-31(40-14-2-1-3-28(40)38-30)26-12-13-29-36-27(19-41(29)39-26)37-32(42)24-15-23(17-35-18-24)21-6-4-20(16-34)5-7-21/h1-15,17-19H,(H,37,42)
InChIKeyXZPWOBHUNHHUCK-UHFFFAOYSA-N
MW550.56 g/mol
LogP6.04
Rot. Bonds5

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

5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (PubChem CID 118538741) has the molecular formula C32H19FN8O and a molecular weight of 550.56 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
PubChem CID118538741
Molecular FormulaC32H19FN8O
Molecular Weight550.56 g/mol
Exact Mass550.17
IUPAC Name5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cncc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)cc1
InChIInChI=1S/C32H19FN8O/c33-25-10-8-22(9-11-25)30-31(40-14-2-1-3-28(40)38-30)26-12-13-29-36-27(19-41(29)39-26)37-32(42)24-15-23(17-35-18-24)21-6-4-20(16-34)5-7-21/h1-15,17-19H,(H,37,42)
InChIKeyXZPWOBHUNHHUCK-UHFFFAOYSA-N
XLogP6.04
TPSA113.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.56
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide (CID 118538741) is 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is N#Cc1ccc(-c2cncc(C(=O)Nc3cn4nc(-c5c(-c6ccc(F)cc6)nc6ccccn56)ccc4n3)c2)cc1.
What is the InChIKey of 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
The InChIKey is XZPWOBHUNHHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19FN8O/c33-25-10-8-22(9-11-25)30-31(40-14-2-1-3-28(40)38-30)26-12-13-29-36-27(19-41(29)39-26)37-32(42)24-15-23(17-35-18-24)21-6-4-20(16-34)5-7-21/h1-15,17-19H,(H,37,42).
What are the key properties of 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide?
5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide has a molecular weight of 550.56 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118538741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).