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

C24H15FN8O — CID 118538904

IUPACN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cncnc1
InChIInChI=1S/C24H15FN8O/c25-17-6-4-15(5-7-17)22-23(32-10-2-1-3-20(32)30-22)18-8-9-21-28-19(13-33(21)31-18)29-24(34)16-11-26-14-27-12-16/h1-14H,(H,29,34)
InChIKeySYMYQIRTGRDEMC-UHFFFAOYSA-N
MW450.44 g/mol
LogP3.89
Rot. Bonds4

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

N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-carboxamide (PubChem CID 118538904) has the molecular formula C24H15FN8O and a molecular weight of 450.44 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]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-carboxamide
PubChem CID118538904
Molecular FormulaC24H15FN8O
Molecular Weight450.44 g/mol
Exact Mass450.14
IUPAC NameN-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cncnc1
InChIInChI=1S/C24H15FN8O/c25-17-6-4-15(5-7-17)22-23(32-10-2-1-3-20(32)30-22)18-8-9-21-28-19(13-33(21)31-18)29-24(34)16-11-26-14-27-12-16/h1-14H,(H,29,34)
InChIKeySYMYQIRTGRDEMC-UHFFFAOYSA-N
XLogP3.89
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 53.89
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]pyrimidine-5-carboxamide?
The IUPAC name of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-carboxamide (CID 118538904) is N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-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]pyrimidine-5-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4ccccn34)ccc2n1)c1cncnc1.
What is the InChIKey of N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is SYMYQIRTGRDEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN8O/c25-17-6-4-15(5-7-17)22-23(32-10-2-1-3-20(32)30-22)18-8-9-21-28-19(13-33(21)31-18)29-24(34)16-11-26-14-27-12-16/h1-14H,(H,29,34).
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]pyrimidine-5-carboxamide?
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 450.44 g/mol, XLogP of 3.89, 4 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]pyrimidine-5-carboxamide is sourced from PubChem (CID 118538904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).