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

C26H28N6O3 — CID 171368547

IUPAC5-[8-[(1S,2S)-2-[3-(3,3-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CCN(C(=O)c2cccc([C@H]3C[C@@H]3c3cc(C4CNC(=O)NC4=O)nn4ccnc34)c2)C1
InChIInChI=1S/C26H28N6O3/c1-26(2)6-8-31(14-26)24(34)16-5-3-4-15(10-16)17-11-18(17)19-12-21(30-32-9-7-27-22(19)32)20-13-28-25(35)29-23(20)33/h3-5,7,9-10,12,17-18,20H,6,8,11,13-14H2,1-2H3,(H2,28,29,33,35)/t17-,18+,20?/m1/s1
InChIKeyGVUPYLLXELDPIJ-ZOVQDZKKSA-N
MW472.55 g/mol
LogP2.80
Rot. Bonds4

About 5-[8-[(1S,2S)-2-[3-(3,3-dimethylpyrrolidine-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-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368547) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-[8-[(1S,2S)-2-[3-(3,3-dimethylpyrrolidine-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-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368547
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name5-[8-[(1S,2S)-2-[3-(3,3-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCC1(C)CCN(C(=O)c2cccc([C@H]3C[C@@H]3c3cc(C4CNC(=O)NC4=O)nn4ccnc34)c2)C1
InChIInChI=1S/C26H28N6O3/c1-26(2)6-8-31(14-26)24(34)16-5-3-4-15(10-16)17-11-18(17)19-12-21(30-32-9-7-27-22(19)32)20-13-28-25(35)29-23(20)33/h3-5,7,9-10,12,17-18,20H,6,8,11,13-14H2,1-2H3,(H2,28,29,33,35)/t17-,18+,20?/m1/s1
InChIKeyGVUPYLLXELDPIJ-ZOVQDZKKSA-N
XLogP2.80
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
5-[8-[(1S,2S)-2-[4-(3,3-dimethylazetidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368532
5-[8-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368840
5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368321
4-[(1S,2S)-2-[6-(2,4-dioxo-1,3-diazinan-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]-2,6-difluorobenzonitrile
CID 171368772
5-[8-[(1R,2R)-2-[1-(2,2-difluoroethyl)indazol-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368378
5-[8-[(1S,2S)-2-[5-(trifluoromethoxy)-2-pyridinyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368601
3-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]benzoic acid
CID 167436342
5-[8-[(1S,2S)-2-[3,3-dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368883
5-[8-[(2S)-2-phenylpropoxy]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368875
5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368862
5-[8-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368442

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(1S,2S)-2-[3-(3,3-dimethylpyrrolidine-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-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368547) is 5-[8-[(1S,2S)-2-[3-(3,3-dimethylpyrrolidine-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-dimethylpyrrolidine-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-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is CC1(C)CCN(C(=O)c2cccc([C@H]3C[C@@H]3c3cc(C4CNC(=O)NC4=O)nn4ccnc34)c2)C1.
What is the InChIKey of 5-[8-[(1S,2S)-2-[3-(3,3-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is GVUPYLLXELDPIJ-ZOVQDZKKSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-26(2)6-8-31(14-26)24(34)16-5-3-4-15(10-16)17-11-18(17)19-12-21(30-32-9-7-27-22(19)32)20-13-28-25(35)29-23(20)33/h3-5,7,9-10,12,17-18,20H,6,8,11,13-14H2,1-2H3,(H2,28,29,33,35)/t17-,18+,20?/m1/s1.
What are the key properties of 5-[8-[(1S,2S)-2-[3-(3,3-dimethylpyrrolidine-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-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 472.55 g/mol, XLogP of 2.80, 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-dimethylpyrrolidine-1-carbonyl)phenyl]cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).