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

C16H17F2N5O2 — CID 171362437

IUPAC5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(C3CCC(F)(F)CC3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C16H17F2N5O2/c17-16(18)3-1-9(2-4-16)10-7-12(22-23-6-5-19-13(10)23)11-8-20-15(25)21-14(11)24/h5-7,9,11H,1-4,8H2,(H2,20,21,24,25)
InChIKeySAAONIIXKQNWHT-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.95
Rot. Bonds2

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

5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171362437) has the molecular formula C16H17F2N5O2 and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171362437
Molecular FormulaC16H17F2N5O2
Molecular Weight349.34 g/mol
Exact Mass349.14
IUPAC Name5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(c2cc(C3CCC(F)(F)CC3)c3nccn3n2)C(=O)N1
InChIInChI=1S/C16H17F2N5O2/c17-16(18)3-1-9(2-4-16)10-7-12(22-23-6-5-19-13(10)23)11-8-20-15(25)21-14(11)24/h5-7,9,11H,1-4,8H2,(H2,20,21,24,25)
InChIKeySAAONIIXKQNWHT-UHFFFAOYSA-N
XLogP1.95
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171362437) is 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is O=C1NCC(c2cc(C3CCC(F)(F)CC3)c3nccn3n2)C(=O)N1.
What is the InChIKey of 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is SAAONIIXKQNWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O2/c17-16(18)3-1-9(2-4-16)10-7-12(22-23-6-5-19-13(10)23)11-8-20-15(25)21-14(11)24/h5-7,9,11H,1-4,8H2,(H2,20,21,24,25).
What are the key properties of 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 349.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171362437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).