1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate

C18H19F6N5O3 — CID 149336681

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate
SMILESCN(C(=O)c1cnc2cccnn12)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C18H19F6N5O3/c1-16(27(2)13(30)11-10-25-12-4-3-7-26-29(11)12)5-8-28(9-6-16)15(31)32-14(17(19,20)21)18(22,23)24/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyYDJLNVRRKVHTFY-UHFFFAOYSA-N
MW467.37 g/mol
LogP3.29
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate (PubChem CID 149336681) has the molecular formula C18H19F6N5O3 and a molecular weight of 467.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate
PubChem CID149336681
Molecular FormulaC18H19F6N5O3
Molecular Weight467.37 g/mol
Exact Mass467.14
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate
SMILESCN(C(=O)c1cnc2cccnn12)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C18H19F6N5O3/c1-16(27(2)13(30)11-10-25-12-4-3-7-26-29(11)12)5-8-28(9-6-16)15(31)32-14(17(19,20)21)18(22,23)24/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChIKeyYDJLNVRRKVHTFY-UHFFFAOYSA-N
XLogP3.29
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate 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 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate (CID 149336681) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate is CN(C(=O)c1cnc2cccnn12)C1(C)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate?
The InChIKey is YDJLNVRRKVHTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F6N5O3/c1-16(27(2)13(30)11-10-25-12-4-3-7-26-29(11)12)5-8-28(9-6-16)15(31)32-14(17(19,20)21)18(22,23)24/h3-4,7,10,14H,5-6,8-9H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate has a molecular weight of 467.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[imidazo[1,2-b]pyridazine-3-carbonyl(methyl)amino]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 149336681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).