(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide

C24H27F3N6O — CID 177158027

IUPAC(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
SMILESC[C@@H]1CN2N=C(N3CCC(C)(C#N)CC3)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1
InChIInChI=1S/C24H27F3N6O/c1-14-12-33-22(29-14)18(11-19(31-33)32-9-7-24(3,13-28)8-10-32)23(34)30-15(2)16-5-4-6-17(20(16)25)21(26)27/h4-6,11,14-15,21H,7-10,12H2,1-3H3,(H,30,34)/t14-,15-/m1/s1
InChIKeyFUQYFPCFNKKLTP-HUUCEWRRSA-N
MW472.52 g/mol
LogP3.92
Rot. Bonds4

About (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide

(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 177158027) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID177158027
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
SMILESC[C@@H]1CN2N=C(N3CCC(C)(C#N)CC3)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1
InChIInChI=1S/C24H27F3N6O/c1-14-12-33-22(29-14)18(11-19(31-33)32-9-7-24(3,13-28)8-10-32)23(34)30-15(2)16-5-4-6-17(20(16)25)21(26)27/h4-6,11,14-15,21H,7-10,12H2,1-3H3,(H,30,34)/t14-,15-/m1/s1
InChIKeyFUQYFPCFNKKLTP-HUUCEWRRSA-N
XLogP3.92
TPSA84.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 177158093
(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
CID 177157940
(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-6-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 177158148
7-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-3,4-dihydro-2H-pyrimido[1,2-b]pyridazine-9-carboxamide
CID 177158029
6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
CID 177158163
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
CID 177158012
(2S,7S)-12-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-oxa-1,8,13-triazatricyclo[7.4.0.02,7]trideca-8,10,12-triene-10-carboxamide
CID 177158092
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]spiro[3H-imidazo[1,2-b]pyridazine-2,1'-cyclobutane]-8-carboxamide
CID 177157996
2-amino-4-(difluoromethyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-morpholin-4-ylbenzamide
CID 170630178
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-8-(1-hydroxycyclohexyl)-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 177360387
1-(1-bicyclo[1.1.1]pentanyl)-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175934929
1-(3,3-difluoro-1-methylcyclobutyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
CID 169321654

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide (CID 177158027) is (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide is C[C@@H]1CN2N=C(N3CCC(C)(C#N)CC3)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1.
What is the InChIKey of (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is FUQYFPCFNKKLTP-HUUCEWRRSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-14-12-33-22(29-14)18(11-19(31-33)32-9-7-24(3,13-28)8-10-32)23(34)30-15(2)16-5-4-6-17(20(16)25)21(26)27/h4-6,11,14-15,21H,7-10,12H2,1-3H3,(H,30,34)/t14-,15-/m1/s1.
What are the key properties of (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 177158027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).