N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C18H22F2N8O — CID 162662528

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN(c1ccc2ncc(C(=O)Nc3cn(C)nc3C(F)F)n2n1)[C@@H]1CCCNC1
InChIInChI=1S/C18H22F2N8O/c1-26-10-12(16(25-26)17(19)20)23-18(29)13-9-22-14-5-6-15(24-28(13)14)27(2)11-4-3-7-21-8-11/h5-6,9-11,17,21H,3-4,7-8H2,1-2H3,(H,23,29)/t11-/m1/s1
InChIKeySDXBZGUADFDMJU-LLVKDONJSA-N
MW404.43 g/mol
LogP1.84
Rot. Bonds5

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162662528) has the molecular formula C18H22F2N8O and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162662528
Molecular FormulaC18H22F2N8O
Molecular Weight404.43 g/mol
Exact Mass404.19
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN(c1ccc2ncc(C(=O)Nc3cn(C)nc3C(F)F)n2n1)[C@@H]1CCCNC1
InChIInChI=1S/C18H22F2N8O/c1-26-10-12(16(25-26)17(19)20)23-18(29)13-9-22-14-5-6-15(24-28(13)14)27(2)11-4-3-7-21-8-11/h5-6,9-11,17,21H,3-4,7-8H2,1-2H3,(H,23,29)/t11-/m1/s1
InChIKeySDXBZGUADFDMJU-LLVKDONJSA-N
XLogP1.84
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[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-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 162662528) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is CN(c1ccc2ncc(C(=O)Nc3cn(C)nc3C(F)F)n2n1)[C@@H]1CCCNC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SDXBZGUADFDMJU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22F2N8O/c1-26-10-12(16(25-26)17(19)20)23-18(29)13-9-22-14-5-6-15(24-28(13)14)27(2)11-4-3-7-21-8-11/h5-6,9-11,17,21H,3-4,7-8H2,1-2H3,(H,23,29)/t11-/m1/s1.
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-6-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 1.84, 5 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-[methyl-[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162662528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).