4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine

C64H75Cl2N21O2S — CID 157451128

IUPAC4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCN1CCN(CCn2nc(-c3cccn3C)c3c(S(C)(=O)=O)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(-c3cnn(C)c3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2ncc3c(Cl)c(-c4ccccc4)nnc32)CC1
InChIInChI=1S/C24H29N7O2S.C22H25ClN8.C18H21ClN6/c1-28-12-14-30(15-13-28)16-17-31-24-20(22(27-31)19-10-7-11-29(19)2)23(34(3,32)33)21(25-26-24)18-8-5-4-6-9-18;1-28-8-10-30(11-9-28)12-13-31-22-18(20(27-31)17-14-24-29(2)15-17)19(23)21(25-26-22)16-6-4-3-5-7-16;1-23-7-9-24(10-8-23)11-12-25-18-15(13-20-25)16(19)17(21-22-18)14-5-3-2-4-6-14/h4-11H,12-17H2,1-3H3;3-7,14-15H,8-13H2,1-2H3;2-6,13H,7-12H2,1H3
InChIKeyBSUWSUXQQFIFNR-UHFFFAOYSA-N
MW1273.42 g/mol
LogP7.34
Rot. Bonds15

About 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine

4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 157451128) has the molecular formula C64H75Cl2N21O2S and a molecular weight of 1273.42 g/mol. Its IUPAC name is 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine
PubChem CID157451128
Molecular FormulaC64H75Cl2N21O2S
Molecular Weight1273.42 g/mol
Exact Mass1271.55
IUPAC Name4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCN1CCN(CCn2nc(-c3cccn3C)c3c(S(C)(=O)=O)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(-c3cnn(C)c3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2ncc3c(Cl)c(-c4ccccc4)nnc32)CC1
InChIInChI=1S/C24H29N7O2S.C22H25ClN8.C18H21ClN6/c1-28-12-14-30(15-13-28)16-17-31-24-20(22(27-31)19-10-7-11-29(19)2)23(34(3,32)33)21(25-26-24)18-8-5-4-6-9-18;1-28-8-10-30(11-9-28)12-13-31-22-18(20(27-31)17-14-24-29(2)15-17)19(23)21(25-26-22)16-6-4-3-5-7-16;1-23-7-9-24(10-8-23)11-12-25-18-15(13-20-25)16(19)17(21-22-18)14-5-3-2-4-6-14/h4-11H,12-17H2,1-3H3;3-7,14-15H,8-13H2,1-2H3;2-6,13H,7-12H2,1H3
InChIKeyBSUWSUXQQFIFNR-UHFFFAOYSA-N
XLogP7.34
TPSA207.13 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.42
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine with MolForge

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Related Compounds

4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine
CID 157337926
4-Chloro-3-cyclopropyl-1-(2-methylsulfonylethyl)-5-phenylpyrazolo[3,4-c]pyridazine;2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
CID 161918721
1-[(6-Chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-phenylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-pyridin-3-ylpyrazolo[4,5-b]pyridine;1-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-thiophen-3-ylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;3-[[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 162120975
1-[2-(4-Methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine
CID 74220806
4-Chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine
CID 157073242
4-Chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;methane
CID 157461978
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;1-[2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]pyrrolidin-2-one;4-chloro-1-(2-methylsulfonylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine
CID 157532586
1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-4-chloro-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrol-1-ylpyrazolo[3,4-c]pyridazine;4-chloro-3-(1-methylpyrrol-2-yl)-5-phenyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-c]pyridazine;4-chloro-3-(1-methylpyrrol-2-yl)-5-phenyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-c]pyridazine
CID 157664783
4-Chloro-3,5-diphenyl-1-(pyridin-2-ylmethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3,5-diphenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-c]pyridazine;4-chloro-1-(2-methylsulfonylethyl)-3,5-diphenylpyrazolo[3,4-c]pyridazine
CID 157707480
5-(Benzenesulfonyl)-4,8-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(benzenesulfonyl)-4,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(benzenesulfonyl)-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(benzenesulfonyl)-4,8,11-trimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene;5-(3-chlorophenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 157962671
5-[1-(2-Chlorophenyl)sulfonylpyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-cyclohexylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-hexylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-(1-propylsulfonylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
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4-Chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-5-(3-fluorophenyl)-1,3-dimethyl-7,7a-dihydropyrazolo[3,4-c]pyridazine;4-chloro-1-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 158176835

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine (CID 157451128) is 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine is CN1CCN(CCn2nc(-c3cccn3C)c3c(S(C)(=O)=O)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(-c3cnn(C)c3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2ncc3c(Cl)c(-c4ccccc4)nnc32)CC1.
What is the InChIKey of 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine?
The InChIKey is BSUWSUXQQFIFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S.C22H25ClN8.C18H21ClN6/c1-28-12-14-30(15-13-28)16-17-31-24-20(22(27-31)19-10-7-11-29(19)2)23(34(3,32)33)21(25-26-24)18-8-5-4-6-9-18;1-28-8-10-30(11-9-28)12-13-31-22-18(20(27-31)17-14-24-29(2)15-17)19(23)21(25-26-22)16-6-4-3-5-7-16;1-23-7-9-24(10-8-23)11-12-25-18-15(13-20-25)16(19)17(21-22-18)14-5-3-2-4-6-14/h4-11H,12-17H2,1-3H3;3-7,14-15H,8-13H2,1-2H3;2-6,13H,7-12H2,1H3.
What are the key properties of 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine?
4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1273.42 g/mol, XLogP of 7.34, 15 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-4-methylsulfonyl-5-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 157451128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).