N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

C24H16FN5O — CID 134551551

IUPACN-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C24H16FN5O/c25-18-8-6-16(7-9-18)19-10-12-26-14-21(19)29-24(31)20-11-13-27-30-15-22(28-23(20)30)17-4-2-1-3-5-17/h1-15H,(H,29,31)
InChIKeyDRDJBBZKDSVNTH-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.85
Rot. Bonds4

About N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551551) has the molecular formula C24H16FN5O and a molecular weight of 409.42 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551551
Molecular FormulaC24H16FN5O
Molecular Weight409.42 g/mol
Exact Mass409.13
IUPAC NameN-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESO=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnn2cc(-c3ccccc3)nc12
InChIInChI=1S/C24H16FN5O/c25-18-8-6-16(7-9-18)19-10-12-26-14-21(19)29-24(31)20-11-13-27-30-15-22(28-23(20)30)17-4-2-1-3-5-17/h1-15H,(H,29,31)
InChIKeyDRDJBBZKDSVNTH-UHFFFAOYSA-N
XLogP4.85
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (CID 134551551) is N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccnn2cc(-c3ccccc3)nc12.
What is the InChIKey of N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is DRDJBBZKDSVNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O/c25-18-8-6-16(7-9-18)19-10-12-26-14-21(19)29-24(31)20-11-13-27-30-15-22(28-23(20)30)17-4-2-1-3-5-17/h1-15H,(H,29,31).
What are the key properties of N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 409.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).