4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C98H86F5N21O7 — CID 162231069

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.COCCN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.Cn1cc(-c2ccnc3c2C(=O)N(C2CCOCC2)C3)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2nc3ccc(N4CCNCC4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C22H21FN4O2.C21H19FN6.C20H19FN4O2.C18H15FN4O.C17H12FN3O2/c1-26-12-18(21(25-26)14-2-4-15(23)5-3-14)17-6-9-24-19-13-27(22(28)20(17)19)16-7-10-29-11-8-16;22-17-3-1-15(2-4-17)20-21(16-7-9-23-10-8-16)28-18(25-20)5-6-19(26-28)27-13-11-24-12-14-27;1-24-11-16(19(23-24)13-3-5-14(21)6-4-13)15-7-8-22-17-12-25(9-10-27-2)20(26)18(15)17;1-22-10-15-16(18(22)24)13(7-8-20-15)14-9-23(2)21-17(14)11-3-5-12(19)6-4-11;1-21-8-13(16(20-21)10-2-4-11(18)5-3-10)12-6-7-19-14-9-23-17(22)15(12)14/h2-6,9,12,16H,7-8,10-11,13H2,1H3;1-10,24H,11-14H2;3-8,11H,9-10,12H2,1-2H3;3-9H,10H2,1-2H3;2-8H,9H2,1H3
InChIKeyZVKYLRUSNMZCOF-UHFFFAOYSA-N
MW1764.90 g/mol
LogP15.15
Rot. Bonds15

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 162231069) has the molecular formula C98H86F5N21O7 and a molecular weight of 1764.90 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID162231069
Molecular FormulaC98H86F5N21O7
Molecular Weight1764.90 g/mol
Exact Mass1763.69
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.COCCN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.Cn1cc(-c2ccnc3c2C(=O)N(C2CCOCC2)C3)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2nc3ccc(N4CCNCC4)nn3c2-c2ccncc2)cc1
InChIInChI=1S/C22H21FN4O2.C21H19FN6.C20H19FN4O2.C18H15FN4O.C17H12FN3O2/c1-26-12-18(21(25-26)14-2-4-15(23)5-3-14)17-6-9-24-19-13-27(22(28)20(17)19)16-7-10-29-11-8-16;22-17-3-1-15(2-4-17)20-21(16-7-9-23-10-8-16)28-18(25-20)5-6-19(26-28)27-13-11-24-12-14-27;1-24-11-16(19(23-24)13-3-5-14(21)6-4-13)15-7-8-22-17-12-25(9-10-27-2)20(26)18(15)17;1-22-10-15-16(18(22)24)13(7-8-20-15)14-9-23(2)21-17(14)11-3-5-12(19)6-4-11;1-21-8-13(16(20-21)10-2-4-11(18)5-3-10)12-6-7-19-14-9-23-17(22)15(12)14/h2-6,9,12,16H,7-8,10-11,13H2,1H3;1-10,24H,11-14H2;3-8,11H,9-10,12H2,1-2H3;3-9H,10H2,1-2H3;2-8H,9H2,1H3
InChIKeyZVKYLRUSNMZCOF-UHFFFAOYSA-N
XLogP15.15
TPSA286.88 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001764.90
LogP ≤ 515.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine 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

(1-methylimidazol-4-yl)methyl 2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanoate;2-methyl-N-(oxolan-3-yl)-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 87217199
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-morpholin-2-ylpyridine-4-carboxamide
CID 126597980
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-morpholin-2-ylpyridine-4-carboxamide
CID 126598008
N-[6-[3-(4-fluorophenyl)-5-[1-(3-fluoropropyl)piperidin-4-yl]-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-morpholin-2-ylpyridine-4-carboxamide
CID 126598016
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-morpholin-2-ylpyridine-4-carboxamide
CID 126598018
N-[6-[3-(4-fluorophenyl)-5-[4-(3-fluoropropyl)piperazin-1-yl]-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-morpholin-2-ylpyridine-4-carboxamide
CID 126598025
(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)-4-[2-[4-[2-(trifluoromethyl)-4-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-2-yl]phenyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperidin-1-yl]methanone
CID 146349816
methyl 4-[3-(difluoromethyl)-4-[[5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazol-1-yl]benzoate
CID 146598907
methyl 4-[3-(difluoromethyl)-4-[[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazol-1-yl]benzoate
CID 146599049
ethyl 4-[4-[3-(difluoromethyl)-4-[[5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]pyrazol-1-yl]piperidin-1-yl]benzoate
CID 146599460
N-[5-[2-[3-[4-[2-[3-[6-[[5-fluoro-1-(pyridin-4-ylmethyl)indole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-[[1-[2-(1-phenylethoxy)ethyl]imidazo[4,5-c]pyridine-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[2-(pyridin-4-ylmethoxy)ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 154991766
(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4-methylpentan-1-one;methyl (3R,4R)-1-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperidine-4-carboxylate;pyridin-2-ylmethyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate;pyridin-3-ylmethyl (2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
CID 157105523

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 162231069) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.COCCN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.Cn1cc(-c2ccnc3c2C(=O)N(C2CCOCC2)C3)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2nc3ccc(N4CCNCC4)nn3c2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is ZVKYLRUSNMZCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2.C21H19FN6.C20H19FN4O2.C18H15FN4O.C17H12FN3O2/c1-26-12-18(21(25-26)14-2-4-15(23)5-3-14)17-6-9-24-19-13-27(22(28)20(17)19)16-7-10-29-11-8-16;22-17-3-1-15(2-4-17)20-21(16-7-9-23-10-8-16)28-18(25-20)5-6-19(26-28)27-13-11-24-12-14-27;1-24-11-16(19(23-24)13-3-5-14(21)6-4-13)15-7-8-22-17-12-25(9-10-27-2)20(26)18(15)17;1-22-10-15-16(18(22)24)13(7-8-20-15)14-9-23(2)21-17(14)11-3-5-12(19)6-4-11;1-21-8-13(16(20-21)10-2-4-11(18)5-3-10)12-6-7-19-14-9-23-17(22)15(12)14/h2-6,9,12,16H,7-8,10-11,13H2,1H3;1-10,24H,11-14H2;3-8,11H,9-10,12H2,1-2H3;3-9H,10H2,1-2H3;2-8H,9H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 1764.90 g/mol, XLogP of 15.15, 15 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(2-methoxyethyl)-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-(oxan-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;2-(4-fluorophenyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 162231069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).