5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

C20H19FN6O2 — CID 171368494

IUPAC5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(N3CCC(F)(c4ccccc4)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C20H19FN6O2/c21-20(13-4-2-1-3-5-13)6-8-26(12-20)16-10-15(25-27-9-7-22-17(16)27)14-11-23-19(29)24-18(14)28/h1-5,7,9-10,14H,6,8,11-12H2,(H2,23,24,28,29)
InChIKeyIFTSTTIKLCRANH-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.73
Rot. Bonds3

About 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione

5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368494) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368494
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(N3CCC(F)(c4ccccc4)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C20H19FN6O2/c21-20(13-4-2-1-3-5-13)6-8-26(12-20)16-10-15(25-27-9-7-22-17(16)27)14-11-23-19(29)24-18(14)28/h1-5,7,9-10,14H,6,8,11-12H2,(H2,23,24,28,29)
InChIKeyIFTSTTIKLCRANH-UHFFFAOYSA-N
XLogP1.73
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368494) is 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(N3CCC(F)(c4ccccc4)C3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is IFTSTTIKLCRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-20(13-4-2-1-3-5-13)6-8-26(12-20)16-10-15(25-27-9-7-22-17(16)27)14-11-23-19(29)24-18(14)28/h1-5,7,9-10,14H,6,8,11-12H2,(H2,23,24,28,29).
What are the key properties of 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 394.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(3-fluoro-3-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).