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

C15H16F2N6O2 — CID 171368471

IUPAC5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(NC3CCC(F)(F)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C15H16F2N6O2/c16-15(17)2-1-8(6-15)20-11-5-10(22-23-4-3-18-12(11)23)9-7-19-14(25)21-13(9)24/h3-5,8-9,20H,1-2,6-7H2,(H2,19,21,24,25)
InChIKeyIINMCOWMEPITNA-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.25
Rot. Bonds3

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

5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368471) has the molecular formula C15H16F2N6O2 and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368471
Molecular FormulaC15H16F2N6O2
Molecular Weight350.33 g/mol
Exact Mass350.13
IUPAC Name5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(NC3CCC(F)(F)C3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C15H16F2N6O2/c16-15(17)2-1-8(6-15)20-11-5-10(22-23-4-3-18-12(11)23)9-7-19-14(25)21-13(9)24/h3-5,8-9,20H,1-2,6-7H2,(H2,19,21,24,25)
InChIKeyIINMCOWMEPITNA-UHFFFAOYSA-N
XLogP1.25
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[8-[(3-hydroxy-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368706
5-[8-[3-(difluoromethyl)azetidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368626
5-[8-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368859
5-[8-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368473
5-(8-imidazol-1-ylimidazo[1,2-b]pyridazin-6-yl)-1,3-diazinane-2,4-dione
CID 171362434
5-[8-(2-methylpropoxy)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368862
5-[8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368368
5-[8-[(1R,2R)-2-(3,5-difluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368321
5-[8-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368442
5-[8-(phenylmethoxymethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368319
5-[8-[(1S,2S)-2-(2,3,4-trifluorophenyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368686
5-[8-[(1R,2R)-2-(methoxymethyl)cyclopropyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171362427

Frequently Asked Questions

What is the IUPAC name of 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368471) is 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(NC3CCC(F)(F)C3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is IINMCOWMEPITNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N6O2/c16-15(17)2-1-8(6-15)20-11-5-10(22-23-4-3-18-12(11)23)9-7-19-14(25)21-13(9)24/h3-5,8-9,20H,1-2,6-7H2,(H2,19,21,24,25).
What are the key properties of 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 350.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(3,3-difluorocyclopentyl)amino]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).