N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide

C16H18F2N8O — CID 162663196

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnc3ccc(N4CCNCC4)nn23)c(C(F)F)n1
InChIInChI=1S/C16H18F2N8O/c1-24-9-10(14(23-24)15(17)18)21-16(27)11-8-20-12-2-3-13(22-26(11)12)25-6-4-19-5-7-25/h2-3,8-9,15,19H,4-7H2,1H3,(H,21,27)
InChIKeyRTLQWMBFNBREEO-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.06
Rot. Bonds4

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162663196) has the molecular formula C16H18F2N8O and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162663196
Molecular FormulaC16H18F2N8O
Molecular Weight376.37 g/mol
Exact Mass376.16
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnc3ccc(N4CCNCC4)nn23)c(C(F)F)n1
InChIInChI=1S/C16H18F2N8O/c1-24-9-10(14(23-24)15(17)18)21-16(27)11-8-20-12-2-3-13(22-26(11)12)25-6-4-19-5-7-25/h2-3,8-9,15,19H,4-7H2,1H3,(H,21,27)
InChIKeyRTLQWMBFNBREEO-UHFFFAOYSA-N
XLogP1.06
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 162663196) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide is Cn1cc(NC(=O)c2cnc3ccc(N4CCNCC4)nn23)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RTLQWMBFNBREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N8O/c1-24-9-10(14(23-24)15(17)18)21-16(27)11-8-20-12-2-3-13(22-26(11)12)25-6-4-19-5-7-25/h2-3,8-9,15,19H,4-7H2,1H3,(H,21,27).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-piperazin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162663196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).