[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C26H25FN6O2 — CID 58335683

IUPAC[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)n1)N1CCOCC1
InChIInChI=1S/C26H25FN6O2/c27-19-5-1-4-18(16-19)22-8-3-11-32(22)25-10-9-24-28-17-23(33(24)30-25)20-6-2-7-21(29-20)26(34)31-12-14-35-15-13-31/h1-2,4-7,9-10,16-17,22H,3,8,11-15H2
InChIKeyQOBSHWIXBJKVSX-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.74
Rot. Bonds4

About [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 58335683) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID58335683
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)n1)N1CCOCC1
InChIInChI=1S/C26H25FN6O2/c27-19-5-1-4-18(16-19)22-8-3-11-32(22)25-10-9-24-28-17-23(33(24)30-25)20-6-2-7-21(29-20)26(34)31-12-14-35-15-13-31/h1-2,4-7,9-10,16-17,22H,3,8,11-15H2
InChIKeyQOBSHWIXBJKVSX-UHFFFAOYSA-N
XLogP3.74
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 58335683) is [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)n1)N1CCOCC1.
What is the InChIKey of [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is QOBSHWIXBJKVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c27-19-5-1-4-18(16-19)22-8-3-11-32(22)25-10-9-24-28-17-23(33(24)30-25)20-6-2-7-21(29-20)26(34)31-12-14-35-15-13-31/h1-2,4-7,9-10,16-17,22H,3,8,11-15H2.
What are the key properties of [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 472.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58335683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).