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

C24H18FN7O — CID 118538743

IUPACN-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CC3)ccc2n1)c1ccncc1
InChIInChI=1S/C24H18FN7O/c25-17-3-1-15(2-4-17)22-23(31(14-27-22)18-5-6-18)19-7-8-21-28-20(13-32(21)30-19)29-24(33)16-9-11-26-12-10-16/h1-4,7-14,18H,5-6H2,(H,29,33)
InChIKeyBTUKALJLOOIFHL-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.38
Rot. Bonds5

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

N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538743) has the molecular formula C24H18FN7O and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID118538743
Molecular FormulaC24H18FN7O
Molecular Weight439.45 g/mol
Exact Mass439.16
IUPAC NameN-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CC3)ccc2n1)c1ccncc1
InChIInChI=1S/C24H18FN7O/c25-17-3-1-15(2-4-17)22-23(31(14-27-22)18-5-6-18)19-7-8-21-28-20(13-32(21)30-19)29-24(33)16-9-11-26-12-10-16/h1-4,7-14,18H,5-6H2,(H,29,33)
InChIKeyBTUKALJLOOIFHL-UHFFFAOYSA-N
XLogP4.38
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538743) is N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CC3)ccc2n1)c1ccncc1.
What is the InChIKey of N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is BTUKALJLOOIFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O/c25-17-3-1-15(2-4-17)22-23(31(14-27-22)18-5-6-18)19-7-8-21-28-20(13-32(21)30-19)29-24(33)16-9-11-26-12-10-16/h1-4,7-14,18H,5-6H2,(H,29,33).
What are the key properties of N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 439.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).