N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

C23H21FN6O2 — CID 134551604

IUPACN-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC1CN(c2cc(F)ncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1
InChIInChI=1S/C23H21FN6O2/c1-15-13-29(9-10-32-15)20-11-21(24)25-12-18(20)28-23(31)17-7-8-26-30-14-19(27-22(17)30)16-5-3-2-4-6-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,28,31)
InChIKeyGOMNONYNAWUWRB-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.41
Rot. Bonds4

About N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide

N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 134551604) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID134551604
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC1CN(c2cc(F)ncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1
InChIInChI=1S/C23H21FN6O2/c1-15-13-29(9-10-32-15)20-11-21(24)25-12-18(20)28-23(31)17-7-8-26-30-14-19(27-22(17)30)16-5-3-2-4-6-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,28,31)
InChIKeyGOMNONYNAWUWRB-UHFFFAOYSA-N
XLogP3.41
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide (CID 134551604) is N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is CC1CN(c2cc(F)ncc2NC(=O)c2ccnn3cc(-c4ccccc4)nc23)CCO1.
What is the InChIKey of N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is GOMNONYNAWUWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-15-13-29(9-10-32-15)20-11-21(24)25-12-18(20)28-23(31)17-7-8-26-30-14-19(27-22(17)30)16-5-3-2-4-6-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,28,31).
What are the key properties of N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide?
N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-4-(2-methylmorpholin-4-yl)-3-pyridinyl]-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134551604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).