4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine

C92H81Cl4F4N21 — CID 157098914

IUPAC4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCc1cccc(-c2nn(CCn3ccnc3)c3nnc(-c4ccccc4)c(Cl)c23)c1.FC1(F)CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.F[C@@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.F[C@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1
InChIInChI=1S/C23H20ClF2N5.2C23H21ClFN5.C23H19ClN6/c24-19-18-20(16-7-3-1-4-8-16)29-31(14-13-30-12-11-23(25,26)15-30)22(18)28-27-21(19)17-9-5-2-6-10-17;2*24-20-19-21(16-7-3-1-4-8-16)28-30(14-13-29-12-11-18(25)15-29)23(19)27-26-22(20)17-9-5-2-6-10-17;1-16-6-5-9-18(14-16)21-19-20(24)22(17-7-3-2-4-8-17)26-27-23(19)30(28-21)13-12-29-11-10-25-15-29/h1-10H,11-15H2;2*1-10,18H,11-15H2;2-11,14-15H,12-13H2,1H3/t;2*18-;/m.10./s1
InChIKeyAFNMZQNYDYFRIO-UYQUUODHSA-N
MW1698.61 g/mol
LogP19.89
Rot. Bonds20

About 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine

4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 157098914) has the molecular formula C92H81Cl4F4N21 and a molecular weight of 1698.61 g/mol. Its IUPAC name is 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
PubChem CID157098914
Molecular FormulaC92H81Cl4F4N21
Molecular Weight1698.61 g/mol
Exact Mass1695.57
IUPAC Name4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCc1cccc(-c2nn(CCn3ccnc3)c3nnc(-c4ccccc4)c(Cl)c23)c1.FC1(F)CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.F[C@@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.F[C@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1
InChIInChI=1S/C23H20ClF2N5.2C23H21ClFN5.C23H19ClN6/c24-19-18-20(16-7-3-1-4-8-16)29-31(14-13-30-12-11-23(25,26)15-30)22(18)28-27-21(19)17-9-5-2-6-10-17;2*24-20-19-21(16-7-3-1-4-8-16)28-30(14-13-29-12-11-18(25)15-29)23(19)27-26-22(20)17-9-5-2-6-10-17;1-16-6-5-9-18(14-16)21-19-20(24)22(17-7-3-2-4-8-17)26-27-23(19)30(28-21)13-12-29-11-10-25-15-29/h1-10H,11-15H2;2*1-10,18H,11-15H2;2-11,14-15H,12-13H2,1H3/t;2*18-;/m.10./s1
InChIKeyAFNMZQNYDYFRIO-UYQUUODHSA-N
XLogP19.89
TPSA201.94 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.61
LogP ≤ 519.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine with MolForge

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Related Compounds

5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 87327297
1,2-Bis[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-1,2-bis[8-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 87577660
2-(Difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278202
2,3-Dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278214
2,3-Dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]pyrazolo[1,5-a]pyrimidine;3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278226
2,3-Dimethyl-6-[2-(1-methyl-4-pyrazin-2-ylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine;3,8-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 118278245
2-[1,1-Difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-[2-[2-[2,2-difluoro-2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 123659764
4-[3-[3-[(4-fluorophenyl)methyl]-1-methylpyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-6-[2-methyl-5-[1-[2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]triazol-4-yl]phenyl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 123831832
4-Chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
CID 134413659
4-amino-6-[[(1S)-1-[3-chloro-6-[3-[6-[[(1R)-1-[3-chloro-6-[3-[6-[[(1S)-1-[3-chloro-6-(2-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]-9H-purin-8-yl]phenyl]imidazo[1,2-b]pyridazin-7-yl]propyl]amino]-9H-purin-8-yl]-5-fluorophenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 138602694
4-Chloro-1-[2-[4-[4-[4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3-(3-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 145207754
5-[(2E,4E)-5-(1-cyclohexylethenylamino)hepta-2,4,6-trien-3-yl]-N-[3-[3-[2-[5-[(2E,4E)-5-[(3,3-difluoropyrrolidin-1-yl)methyl]hepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]propyl]-3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-N-methylpyrazolo[5,4-b]pyridin-1-amine;ethane
CID 145248526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine (CID 157098914) is 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine is Cc1cccc(-c2nn(CCn3ccnc3)c3nnc(-c4ccccc4)c(Cl)c23)c1.FC1(F)CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.F[C@@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.F[C@H]1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.
What is the InChIKey of 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine?
The InChIKey is AFNMZQNYDYFRIO-UYQUUODHSA-N. The full InChI is InChI=1S/C23H20ClF2N5.2C23H21ClFN5.C23H19ClN6/c24-19-18-20(16-7-3-1-4-8-16)29-31(14-13-30-12-11-23(25,26)15-30)22(18)28-27-21(19)17-9-5-2-6-10-17;2*24-20-19-21(16-7-3-1-4-8-16)28-30(14-13-29-12-11-18(25)15-29)23(19)27-26-22(20)17-9-5-2-6-10-17;1-16-6-5-9-18(14-16)21-19-20(24)22(17-7-3-2-4-8-17)26-27-23(19)30(28-21)13-12-29-11-10-25-15-29/h1-10H,11-15H2;2*1-10,18H,11-15H2;2-11,14-15H,12-13H2,1H3/t;2*18-;/m.10./s1.
What are the key properties of 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine?
4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1698.61 g/mol, XLogP of 19.89, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 157098914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).