N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride

C23H22ClFN6O2 — CID 69318749

IUPACN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)N3CCOCC3)c2)ccc1F.Cl
InChIInChI=1S/C23H21FN6O2.ClH/c1-15-13-16(4-5-18(15)24)21-22(30-20(28-21)3-2-7-26-30)17-6-8-25-19(14-17)27-23(31)29-9-11-32-12-10-29;/h2-8,13-14H,9-12H2,1H3,(H,25,27,31);1H
InChIKeyRUSOGRZBIYZLMV-UHFFFAOYSA-N
MW468.92 g/mol
LogP4.19
Rot. Bonds3

About N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride

N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride (PubChem CID 69318749) has the molecular formula C23H22ClFN6O2 and a molecular weight of 468.92 g/mol. Its IUPAC name is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride
PubChem CID69318749
Molecular FormulaC23H22ClFN6O2
Molecular Weight468.92 g/mol
Exact Mass468.15
IUPAC NameN-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)N3CCOCC3)c2)ccc1F.Cl
InChIInChI=1S/C23H21FN6O2.ClH/c1-15-13-16(4-5-18(15)24)21-22(30-20(28-21)3-2-7-26-30)17-6-8-25-19(14-17)27-23(31)29-9-11-32-12-10-29;/h2-8,13-14H,9-12H2,1H3,(H,25,27,31);1H
InChIKeyRUSOGRZBIYZLMV-UHFFFAOYSA-N
XLogP4.19
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride (CID 69318749) is N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride is Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)N3CCOCC3)c2)ccc1F.Cl.
What is the InChIKey of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride?
The InChIKey is RUSOGRZBIYZLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2.ClH/c1-15-13-16(4-5-18(15)24)21-22(30-20(28-21)3-2-7-26-30)17-6-8-25-19(14-17)27-23(31)29-9-11-32-12-10-29;/h2-8,13-14H,9-12H2,1H3,(H,25,27,31);1H.
What are the key properties of N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride?
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride has a molecular weight of 468.92 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride is sourced from PubChem (CID 69318749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).