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

C23H20F2N6O3 — CID 171368536

IUPAC5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3c3cccc(C(=O)N4CC(F)(F)C4)c3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C23H20F2N6O3/c24-23(25)10-30(11-23)21(33)13-3-1-2-12(6-13)14-7-15(14)16-8-18(29-31-5-4-26-19(16)31)17-9-27-22(34)28-20(17)32/h1-6,8,14-15,17H,7,9-11H2,(H2,27,28,32,34)/t14-,15+,17?/m1/s1
InChIKeyWMQZSVANEBTKBS-CKDQBVIESA-N
MW466.45 g/mol
LogP2.01
Rot. Bonds4

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

5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368536) has the molecular formula C23H20F2N6O3 and a molecular weight of 466.45 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368536
Molecular FormulaC23H20F2N6O3
Molecular Weight466.45 g/mol
Exact Mass466.16
IUPAC Name5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc([C@H]3C[C@@H]3c3cccc(C(=O)N4CC(F)(F)C4)c3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C23H20F2N6O3/c24-23(25)10-30(11-23)21(33)13-3-1-2-12(6-13)14-7-15(14)16-8-18(29-31-5-4-26-19(16)31)17-9-27-22(34)28-20(17)32/h1-6,8,14-15,17H,7,9-11H2,(H2,27,28,32,34)/t14-,15+,17?/m1/s1
InChIKeyWMQZSVANEBTKBS-CKDQBVIESA-N
XLogP2.01
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]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-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368536) is 5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc([C@H]3C[C@@H]3c3cccc(C(=O)N4CC(F)(F)C4)c3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is WMQZSVANEBTKBS-CKDQBVIESA-N. The full InChI is InChI=1S/C23H20F2N6O3/c24-23(25)10-30(11-23)21(33)13-3-1-2-12(6-13)14-7-15(14)16-8-18(29-31-5-4-26-19(16)31)17-9-27-22(34)28-20(17)32/h1-6,8,14-15,17H,7,9-11H2,(H2,27,28,32,34)/t14-,15+,17?/m1/s1.
What are the key properties of 5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(1S,2S)-2-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 466.45 g/mol, XLogP of 2.01, 4 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-[3-(3,3-difluoroazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).