4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine

C19H22F2N6 — CID 139359554

IUPAC4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine
SMILESCNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCC[C@H](C)C2)n1
InChIInChI=1S/C19H22F2N6/c1-12-4-3-7-26(11-12)18-9-13(8-16(22-2)24-18)15-10-23-17-6-5-14(19(20)21)25-27(15)17/h5-6,8-10,12,19H,3-4,7,11H2,1-2H3,(H,22,24)/t12-/m0/s1
InChIKeyMKGZIZYTZOOYCD-LBPRGKRZSA-N
MW372.42 g/mol
LogP4.01
Rot. Bonds4

About 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine

4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine (PubChem CID 139359554) has the molecular formula C19H22F2N6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine
PubChem CID139359554
Molecular FormulaC19H22F2N6
Molecular Weight372.42 g/mol
Exact Mass372.19
IUPAC Name4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine
SMILESCNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCC[C@H](C)C2)n1
InChIInChI=1S/C19H22F2N6/c1-12-4-3-7-26(11-12)18-9-13(8-16(22-2)24-18)15-10-23-17-6-5-14(19(20)21)25-27(15)17/h5-6,8-10,12,19H,3-4,7,11H2,1-2H3,(H,22,24)/t12-/m0/s1
InChIKeyMKGZIZYTZOOYCD-LBPRGKRZSA-N
XLogP4.01
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(2R)-2-(2-methylsulfonylethyl)morpholin-4-yl]pyridin-2-amine
CID 167663850
N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 152594271
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfinamide
CID 153331404
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
CID 139359615
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139359592
6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 146887524
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]piperidin-3-yl]acetamide
CID 139359278
2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80933251
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 139359424
6-(difluoromethyl)-3-[6-[3-[(sulfinatoamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 139357894
2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 139357609

Frequently Asked Questions

What is the IUPAC name of 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine?
The IUPAC name of 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine (CID 139359554) is 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine?
The canonical SMILES for 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine is CNc1cc(-c2cnc3ccc(C(F)F)nn23)cc(N2CCC[C@H](C)C2)n1.
What is the InChIKey of 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine?
The InChIKey is MKGZIZYTZOOYCD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22F2N6/c1-12-4-3-7-26(11-12)18-9-13(8-16(22-2)24-18)15-10-23-17-6-5-14(19(20)21)25-27(15)17/h5-6,8-10,12,19H,3-4,7,11H2,1-2H3,(H,22,24)/t12-/m0/s1.
What are the key properties of 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine?
4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine has a molecular weight of 372.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-N-methyl-6-[(3S)-3-methylpiperidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 139359554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).