N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide

C17H20F2N4O — CID 66991166

IUPACN-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCC(F)(F)CC3)c(C3CC3)n2n1
InChIInChI=1S/C17H20F2N4O/c1-10-2-5-13-20-15(14(11-3-4-11)23(13)22-10)21-16(24)12-6-8-17(18,19)9-7-12/h2,5,11-12H,3-4,6-9H2,1H3,(H,21,24)
InChIKeyUCLDTKZSUMEUNG-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.68
Rot. Bonds3

About N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide

N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 66991166) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID66991166
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CCC(F)(F)CC3)c(C3CC3)n2n1
InChIInChI=1S/C17H20F2N4O/c1-10-2-5-13-20-15(14(11-3-4-11)23(13)22-10)21-16(24)12-6-8-17(18,19)9-7-12/h2,5,11-12H,3-4,6-9H2,1H3,(H,21,24)
InChIKeyUCLDTKZSUMEUNG-UHFFFAOYSA-N
XLogP3.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide (CID 66991166) is N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide is Cc1ccc2nc(NC(=O)C3CCC(F)(F)CC3)c(C3CC3)n2n1.
What is the InChIKey of N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is UCLDTKZSUMEUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-10-2-5-13-20-15(14(11-3-4-11)23(13)22-10)21-16(24)12-6-8-17(18,19)9-7-12/h2,5,11-12H,3-4,6-9H2,1H3,(H,21,24).
What are the key properties of N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide?
N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-6-methylimidazo[1,2-b]pyridazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 66991166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).