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

C17H19F2N5O2 — CID 171368318

IUPAC5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCc1cnc2c(C3CCC(F)(F)CC3)cc(C3CNC(=O)NC3=O)nn12
InChIInChI=1S/C17H19F2N5O2/c1-9-7-20-14-11(10-2-4-17(18,19)5-3-10)6-13(23-24(9)14)12-8-21-16(26)22-15(12)25/h6-7,10,12H,2-5,8H2,1H3,(H2,21,22,25,26)
InChIKeyADGXJBHBSHQKOL-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.25
Rot. Bonds2

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

5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368318) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
PubChem CID171368318
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC Name5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
SMILESCc1cnc2c(C3CCC(F)(F)CC3)cc(C3CNC(=O)NC3=O)nn12
InChIInChI=1S/C17H19F2N5O2/c1-9-7-20-14-11(10-2-4-17(18,19)5-3-10)6-13(23-24(9)14)12-8-21-16(26)22-15(12)25/h6-7,10,12H,2-5,8H2,1H3,(H2,21,22,25,26)
InChIKeyADGXJBHBSHQKOL-UHFFFAOYSA-N
XLogP2.25
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.25
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)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione (CID 171368318) is 5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is Cc1cnc2c(C3CCC(F)(F)CC3)cc(C3CNC(=O)NC3=O)nn12.
What is the InChIKey of 5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
The InChIKey is ADGXJBHBSHQKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c1-9-7-20-14-11(10-2-4-17(18,19)5-3-10)6-13(23-24(9)14)12-8-21-16(26)22-15(12)25/h6-7,10,12H,2-5,8H2,1H3,(H2,21,22,25,26).
What are the key properties of 5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione?
5-[8-(4,4-difluorocyclohexyl)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione has a molecular weight of 363.37 g/mol, XLogP of 2.25, 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)-3-methylimidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).