(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide

C20H22ClF3N4O — CID 177157940

IUPAC(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC(C)C[C@@H]1CN2N=C(Cl)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1
InChIInChI=1S/C20H22ClF3N4O/c1-10(2)7-12-9-28-19(26-12)15(8-16(21)27-28)20(29)25-11(3)13-5-4-6-14(17(13)22)18(23)24/h4-6,8,10-12,18H,7,9H2,1-3H3,(H,25,29)/t11-,12-/m1/s1
InChIKeyMIKKSINDSNXJAI-VXGBXAGGSA-N
MW426.87 g/mol
LogP4.56
Rot. Bonds6

About (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide

(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 177157940) has the molecular formula C20H22ClF3N4O and a molecular weight of 426.87 g/mol. Its IUPAC name is (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID177157940
Molecular FormulaC20H22ClF3N4O
Molecular Weight426.87 g/mol
Exact Mass426.14
IUPAC Name(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCC(C)C[C@@H]1CN2N=C(Cl)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1
InChIInChI=1S/C20H22ClF3N4O/c1-10(2)7-12-9-28-19(26-12)15(8-16(21)27-28)20(29)25-11(3)13-5-4-6-14(17(13)22)18(23)24/h4-6,8,10-12,18H,7,9H2,1-3H3,(H,25,29)/t11-,12-/m1/s1
InChIKeyMIKKSINDSNXJAI-VXGBXAGGSA-N
XLogP4.56
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.87
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-3,4-dihydro-2H-pyrimido[1,2-b]pyridazine-9-carboxamide
CID 177158029
(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
(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
(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
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
5-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 164564411
1-(1-bicyclo[1.1.1]pentanyl)-N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
CID 175934929
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
2-amino-4-(difluoromethyl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-5-morpholin-4-ylbenzamide
CID 170630178
(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
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-chloro-6-cyclopropyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]pyrido[3,4-d]pyridazin-7-one
CID 170700187

Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of (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) is (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide is CC(C)C[C@@H]1CN2N=C(Cl)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1.
What is the InChIKey of (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is MIKKSINDSNXJAI-VXGBXAGGSA-N. The full InChI is InChI=1S/C20H22ClF3N4O/c1-10(2)7-12-9-28-19(26-12)15(8-16(21)27-28)20(29)25-11(3)13-5-4-6-14(17(13)22)18(23)24/h4-6,8,10-12,18H,7,9H2,1-3H3,(H,25,29)/t11-,12-/m1/s1.
What are the key properties of (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 426.87 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 177157940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).