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

C19H19N5O3 — CID 171368875

IUPAC5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESC[C@H](COc1cc(C2CNC(=O)NC2=O)nn2ccnc12)c1ccccc1
InChIInChI=1S/C19H19N5O3/c1-12(13-5-3-2-4-6-13)11-27-16-9-15(23-24-8-7-20-17(16)24)14-10-21-19(26)22-18(14)25/h2-9,12,14H,10-11H2,1H3,(H2,21,22,25,26)/t12-,14?/m1/s1
InChIKeyQDEXIDFNVHNTBJ-PUODRLBUSA-N
MW365.39 g/mol
LogP1.83
Rot. Bonds5

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

5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368875) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368875
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESC[C@H](COc1cc(C2CNC(=O)NC2=O)nn2ccnc12)c1ccccc1
InChIInChI=1S/C19H19N5O3/c1-12(13-5-3-2-4-6-13)11-27-16-9-15(23-24-8-7-20-17(16)24)14-10-21-19(26)22-18(14)25/h2-9,12,14H,10-11H2,1H3,(H2,21,22,25,26)/t12-,14?/m1/s1
InChIKeyQDEXIDFNVHNTBJ-PUODRLBUSA-N
XLogP1.83
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368875) is 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is C[C@H](COc1cc(C2CNC(=O)NC2=O)nn2ccnc12)c1ccccc1.
What is the InChIKey of 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is QDEXIDFNVHNTBJ-PUODRLBUSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12(13-5-3-2-4-6-13)11-27-16-9-15(23-24-8-7-20-17(16)24)14-10-21-19(26)22-18(14)25/h2-9,12,14H,10-11H2,1H3,(H2,21,22,25,26)/t12-,14?/m1/s1.
What are the key properties of 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 365.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).