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5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

C18H14N6O2 — CID 157033222

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccccn3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C18H14N6O2/c25-17-13(9-21-18(26)22-17)15-8-12(16-20-5-6-24(16)23-15)10-7-11(10)14-3-1-2-4-19-14/h1-6,8-11H,7H2,(H2,21,22,25,26)/t10-,11-/m0/s1
InChIKeyGCXOLQUIYXPXBZ-QWRGUYRKSA-N
MW346.35 g/mol
LogP1.44
Rot. Bonds3

About 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione

5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (PubChem CID 157033222) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
PubChem CID157033222
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccccn3)c3nccn3n2)c(=O)[nH]1
InChIInChI=1S/C18H14N6O2/c25-17-13(9-21-18(26)22-17)15-8-12(16-20-5-6-24(16)23-15)10-7-11(10)14-3-1-2-4-19-14/h1-6,8-11H,7H2,(H2,21,22,25,26)/t10-,11-/m0/s1
InChIKeyGCXOLQUIYXPXBZ-QWRGUYRKSA-N
XLogP1.44
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione (CID 157033222) is 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3c3ccccn3)c3nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GCXOLQUIYXPXBZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-17-13(9-21-18(26)22-17)15-8-12(16-20-5-6-24(16)23-15)10-7-11(10)14-3-1-2-4-19-14/h1-6,8-11H,7H2,(H2,21,22,25,26)/t10-,11-/m0/s1.
What are the key properties of 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione?
5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 346.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(1S,2S)-2-pyridin-2-ylcyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 157033222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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