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

C30H34FN7O2 — CID 67029182

IUPAC1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCOCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C30H34FN7O2/c1-20(2)33-30(39)21-11-13-36(14-12-21)28-8-4-7-24(34-28)25-18-32-27-9-10-29(35-38(25)27)37-15-16-40-19-26(37)22-5-3-6-23(31)17-22/h3-10,17-18,20-21,26H,11-16,19H2,1-2H3,(H,33,39)
InChIKeyQKWLKCXPQYRYOF-UHFFFAOYSA-N
MW543.65 g/mol
LogP4.25
Rot. Bonds6

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

1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 67029182) has the molecular formula C30H34FN7O2 and a molecular weight of 543.65 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-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID67029182
Molecular FormulaC30H34FN7O2
Molecular Weight543.65 g/mol
Exact Mass543.28
IUPAC Name1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cccc(-c3cnc4ccc(N5CCOCC5c5cccc(F)c5)nn34)n2)CC1
InChIInChI=1S/C30H34FN7O2/c1-20(2)33-30(39)21-11-13-36(14-12-21)28-8-4-7-24(34-28)25-18-32-27-9-10-29(35-38(25)27)37-15-16-40-19-26(37)22-5-3-6-23(31)17-22/h3-10,17-18,20-21,26H,11-16,19H2,1-2H3,(H,33,39)
InChIKeyQKWLKCXPQYRYOF-UHFFFAOYSA-N
XLogP4.25
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.65
LogP ≤ 54.25
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-propan-2-ylpiperidine-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-propan-2-ylpiperidine-4-carboxamide (CID 67029182) is 1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-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-propan-2-ylpiperidine-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-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=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-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is QKWLKCXPQYRYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O2/c1-20(2)33-30(39)21-11-13-36(14-12-21)28-8-4-7-24(34-28)25-18-32-27-9-10-29(35-38(25)27)37-15-16-40-19-26(37)22-5-3-6-23(31)17-22/h3-10,17-18,20-21,26H,11-16,19H2,1-2H3,(H,33,39).
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-propan-2-ylpiperidine-4-carboxamide?
1-[6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 543.65 g/mol, XLogP of 4.25, 6 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-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 67029182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).