1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one

C17H21F2N5O — CID 154642657

IUPAC1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1cnn2cc(CC3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C17H21F2N5O/c18-17(19)3-1-12(2-4-17)7-14-11-24-15(22-14)8-13(9-21-24)10-23-6-5-20-16(23)25/h8-9,11-12H,1-7,10H2,(H,20,25)
InChIKeyJZZHNJCUFJKBKB-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.62
Rot. Bonds4

About 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one

1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one (PubChem CID 154642657) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one
PubChem CID154642657
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC Name1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1cnn2cc(CC3CCC(F)(F)CC3)nc2c1
InChIInChI=1S/C17H21F2N5O/c18-17(19)3-1-12(2-4-17)7-14-11-24-15(22-14)8-13(9-21-24)10-23-6-5-20-16(23)25/h8-9,11-12H,1-7,10H2,(H,20,25)
InChIKeyJZZHNJCUFJKBKB-UHFFFAOYSA-N
XLogP2.62
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one (CID 154642657) is 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one is O=C1NCCN1Cc1cnn2cc(CC3CCC(F)(F)CC3)nc2c1.
What is the InChIKey of 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one?
The InChIKey is JZZHNJCUFJKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O/c18-17(19)3-1-12(2-4-17)7-14-11-24-15(22-14)8-13(9-21-24)10-23-6-5-20-16(23)25/h8-9,11-12H,1-7,10H2,(H,20,25).
What are the key properties of 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one?
1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 154642657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).