(2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide

C26H28F4N6O2 — CID 177158056

IUPAC(2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
SMILESC[C@@H](NC(=O)C1=CC(c2cnn(CC(C)(C)O)c2)=NN2C[C@@H](C3CC3)N=C12)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C26H28F4N6O2/c1-14(17-5-4-6-19(22(17)27)26(28,29)30)32-24(37)18-9-20(16-10-31-35(11-16)13-25(2,3)38)34-36-12-21(15-7-8-15)33-23(18)36/h4-6,9-11,14-15,21,38H,7-8,12-13H2,1-3H3,(H,32,37)/t14-,21+/m1/s1
InChIKeyKRUWMYUGMLXATQ-SZNDQCEHSA-N
MW532.54 g/mol
LogP3.83
Rot. Bonds7

About (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide

(2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 177158056) has the molecular formula C26H28F4N6O2 and a molecular weight of 532.54 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID177158056
Molecular FormulaC26H28F4N6O2
Molecular Weight532.54 g/mol
Exact Mass532.22
IUPAC Name(2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
SMILESC[C@@H](NC(=O)C1=CC(c2cnn(CC(C)(C)O)c2)=NN2C[C@@H](C3CC3)N=C12)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C26H28F4N6O2/c1-14(17-5-4-6-19(22(17)27)26(28,29)30)32-24(37)18-9-20(16-10-31-35(11-16)13-25(2,3)38)34-36-12-21(15-7-8-15)33-23(18)36/h4-6,9-11,14-15,21,38H,7-8,12-13H2,1-3H3,(H,32,37)/t14-,21+/m1/s1
InChIKeyKRUWMYUGMLXATQ-SZNDQCEHSA-N
XLogP3.83
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
(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
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
8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 177360304
6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 177158035
(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
8-[4-[(4-fluoro-3-hydroxypiperidin-1-yl)methyl]cyclohexyl]-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 177360299
(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
(2S)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 118076298
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-8-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 177295196

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide (CID 177158056) is (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide is C[C@@H](NC(=O)C1=CC(c2cnn(CC(C)(C)O)c2)=NN2C[C@@H](C3CC3)N=C12)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is KRUWMYUGMLXATQ-SZNDQCEHSA-N. The full InChI is InChI=1S/C26H28F4N6O2/c1-14(17-5-4-6-19(22(17)27)26(28,29)30)32-24(37)18-9-20(16-10-31-35(11-16)13-25(2,3)38)34-36-12-21(15-7-8-15)33-23(18)36/h4-6,9-11,14-15,21,38H,7-8,12-13H2,1-3H3,(H,32,37)/t14-,21+/m1/s1.
What are the key properties of (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide?
(2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 532.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 177158056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).