5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione

C14H13FN6O2 — CID 166827273

IUPAC5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CCCC3)c3ncc(F)n3n2)c(=O)[nH]1
InChIInChI=1S/C14H13FN6O2/c15-11-7-16-12-10(20-3-1-2-4-20)5-9(19-21(11)12)8-6-17-14(23)18-13(8)22/h5-7H,1-4H2,(H2,17,18,22,23)
InChIKeyQBGBVHQRYFJNAW-UHFFFAOYSA-N
MW316.30 g/mol
LogP0.51
Rot. Bonds2

About 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione

5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione (PubChem CID 166827273) has the molecular formula C14H13FN6O2 and a molecular weight of 316.30 g/mol. Its IUPAC name is 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
PubChem CID166827273
Molecular FormulaC14H13FN6O2
Molecular Weight316.30 g/mol
Exact Mass316.11
IUPAC Name5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(N3CCCC3)c3ncc(F)n3n2)c(=O)[nH]1
InChIInChI=1S/C14H13FN6O2/c15-11-7-16-12-10(20-3-1-2-4-20)5-9(19-21(11)12)8-6-17-14(23)18-13(8)22/h5-7H,1-4H2,(H2,17,18,22,23)
InChIKeyQBGBVHQRYFJNAW-UHFFFAOYSA-N
XLogP0.51
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione (CID 166827273) is 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(N3CCCC3)c3ncc(F)n3n2)c(=O)[nH]1.
What is the InChIKey of 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is QBGBVHQRYFJNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O2/c15-11-7-16-12-10(20-3-1-2-4-20)5-9(19-21(11)12)8-6-17-14(23)18-13(8)22/h5-7H,1-4H2,(H2,17,18,22,23).
What are the key properties of 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione?
5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 316.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166827273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).