1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide

C28H30FN7O2 — CID 58335716

IUPAC1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCOCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C28H30FN7O2/c1-30-28(37)19-10-12-34(13-11-19)26-7-3-6-22(32-26)23-17-31-25-8-9-27(33-36(23)25)35-14-15-38-18-24(35)20-4-2-5-21(29)16-20/h2-9,16-17,19,24H,10-15,18H2,1H3,(H,30,37)
InChIKeyLHNFKWDIKJLXTL-UHFFFAOYSA-N
MW515.59 g/mol
LogP3.47
Rot. Bonds5

About 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide

1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide (PubChem CID 58335716) has the molecular formula C28H30FN7O2 and a molecular weight of 515.59 g/mol. Its IUPAC name is 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide
PubChem CID58335716
Molecular FormulaC28H30FN7O2
Molecular Weight515.59 g/mol
Exact Mass515.24
IUPAC Name1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCOCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C28H30FN7O2/c1-30-28(37)19-10-12-34(13-11-19)26-7-3-6-22(32-26)23-17-31-25-8-9-27(33-36(23)25)35-14-15-38-18-24(35)20-4-2-5-21(29)16-20/h2-9,16-17,19,24H,10-15,18H2,1H3,(H,30,37)
InChIKeyLHNFKWDIKJLXTL-UHFFFAOYSA-N
XLogP3.47
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.59
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide (CID 58335716) is 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCOCC5c5cccc(F)c5)nn34)n2)CC1.
What is the InChIKey of 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is LHNFKWDIKJLXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN7O2/c1-30-28(37)19-10-12-34(13-11-19)26-7-3-6-22(32-26)23-17-31-25-8-9-27(33-36(23)25)35-14-15-38-18-24(35)20-4-2-5-21(29)16-20/h2-9,16-17,19,24H,10-15,18H2,1H3,(H,30,37).
What are the key properties of 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide?
1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 58335716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).