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

C29H18FN7OS — CID 118538746

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cncc(-c2cccs2)c1
InChIInChI=1S/C29H18FN7OS/c30-21-8-6-18(7-9-21)27-28(36-12-2-1-5-25(36)34-27)22-10-11-26-32-24(17-37(26)35-22)33-29(38)20-14-19(15-31-16-20)23-4-3-13-39-23/h1-17H,(H,33,38)
InChIKeyKKKXUGFFDVNVLS-UHFFFAOYSA-N
MW531.58 g/mol
LogP6.23
Rot. Bonds5

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

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 118538746) has the molecular formula C29H18FN7OS and a molecular weight of 531.58 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]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID118538746
Molecular FormulaC29H18FN7OS
Molecular Weight531.58 g/mol
Exact Mass531.13
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cncc(-c2cccs2)c1
InChIInChI=1S/C29H18FN7OS/c30-21-8-6-18(7-9-21)27-28(36-12-2-1-5-25(36)34-27)22-10-11-26-32-24(17-37(26)35-22)33-29(38)20-14-19(15-31-16-20)23-4-3-13-39-23/h1-17H,(H,33,38)
InChIKeyKKKXUGFFDVNVLS-UHFFFAOYSA-N
XLogP6.23
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.58
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 118538746) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-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]-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cncc(-c2cccs2)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]-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is KKKXUGFFDVNVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18FN7OS/c30-21-8-6-18(7-9-21)27-28(36-12-2-1-5-25(36)34-27)22-10-11-26-32-24(17-37(26)35-22)33-29(38)20-14-19(15-31-16-20)23-4-3-13-39-23/h1-17H,(H,33,38).
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]-5-thiophen-2-ylpyridine-3-carboxamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 531.58 g/mol, XLogP of 6.23, 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]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 118538746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).