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

C80H85Cl3FN19 — CID 157461978

IUPAC4-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
SMILESC.C.C.C.CN1CCN(CCn2nc(-c3cccn3C)c3c(F)c(-c4ccccc4)nnc32)CC1.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(C2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc2nnc(-c3ccccc3)c(Cl)c2c1-c1ccccc1
InChIInChI=1S/C23H26FN7.2C18H13ClN4.C17H17ClN4.4CH4/c1-28-11-13-30(14-12-28)15-16-31-23-19(22(27-31)18-9-6-10-29(18)2)20(24)21(25-26-23)17-7-4-3-5-8-17;1-23-17(13-10-6-3-7-11-13)14-15(19)16(20-21-18(14)22-23)12-8-4-2-5-9-12;1-23-18-14(16(22-23)12-8-4-2-5-9-12)15(19)17(20-21-18)13-10-6-3-7-11-13;1-22-17-13(15(21-22)11-9-5-6-10-11)14(18)16(19-20-17)12-7-3-2-4-8-12;;;;/h3-10H,11-16H2,1-2H3;2*2-11H,1H3;2-4,7-8,11H,5-6,9-10H2,1H3;4*1H4
InChIKeyBUALLDHYAXOMIF-UHFFFAOYSA-N
MW1438.05 g/mol
LogP18.47
Rot. Bonds11

About 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

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 (PubChem CID 157461978) has the molecular formula C80H85Cl3FN19 and a molecular weight of 1438.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID157461978
Molecular FormulaC80H85Cl3FN19
Molecular Weight1438.05 g/mol
Exact Mass1435.63
IUPAC Name4-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
SMILESC.C.C.C.CN1CCN(CCn2nc(-c3cccn3C)c3c(F)c(-c4ccccc4)nnc32)CC1.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(C2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc2nnc(-c3ccccc3)c(Cl)c2c1-c1ccccc1
InChIInChI=1S/C23H26FN7.2C18H13ClN4.C17H17ClN4.4CH4/c1-28-11-13-30(14-12-28)15-16-31-23-19(22(27-31)18-9-6-10-29(18)2)20(24)21(25-26-23)17-7-4-3-5-8-17;1-23-17(13-10-6-3-7-11-13)14-15(19)16(20-21-18(14)22-23)12-8-4-2-5-9-12;1-23-18-14(16(22-23)12-8-4-2-5-9-12)15(19)17(20-21-18)13-10-6-3-7-11-13;1-22-17-13(15(21-22)11-9-5-6-10-11)14(18)16(19-20-17)12-7-3-2-4-8-12;;;;/h3-10H,11-16H2,1-2H3;2*2-11H,1H3;2-4,7-8,11H,5-6,9-10H2,1H3;4*1H4
InChIKeyBUALLDHYAXOMIF-UHFFFAOYSA-N
XLogP18.47
TPSA185.81 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.05
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

4-Chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[2-(trifluoromethyl)pyridin-4-yl]pyrazolo[3,4-c]pyridazine
CID 74220954
4-Chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[6-(trifluoromethyl)pyridin-3-yl]pyrazolo[3,4-c]pyridazine
CID 90109489
4-Chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine
CID 90141946
4-Chloro-3-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine
CID 90141989
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-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
4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-6-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-ethylpyrazol-3-yl]-N-(4-fluoro-1-methylpyrazol-5-yl)-5-methylpyrimidin-2-amine
CID 155376550
4-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-(difluoromethyl)pyrazol-3-yl]-6-[(7R)-5-[(2,4-difluorophenyl)-difluoromethyl]-7-(fluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155376640
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
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-ethynylpiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 157197394
2-[2-(8-Chloro-6-methyl-1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-[6-(1,1-difluoroethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;methane;bis(2-[2-(6-methyl-1,8-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine);8-methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-(2-quinoxalin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
CID 157291311
4-chloro-1-[2-(3,3-difluoroazetidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(4-fluorophenyl)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine;methane
CID 157302926

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.CN1CCN(CCn2nc(-c3cccn3C)c3c(F)c(-c4ccccc4)nnc32)CC1.Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc(C2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc2nnc(-c3ccccc3)c(Cl)c2c1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is BUALLDHYAXOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7.2C18H13ClN4.C17H17ClN4.4CH4/c1-28-11-13-30(14-12-28)15-16-31-23-19(22(27-31)18-9-6-10-29(18)2)20(24)21(25-26-23)17-7-4-3-5-8-17;1-23-17(13-10-6-3-7-11-13)14-15(19)16(20-21-18(14)22-23)12-8-4-2-5-9-12;1-23-18-14(16(22-23)12-8-4-2-5-9-12)15(19)17(20-21-18)13-10-6-3-7-11-13;1-22-17-13(15(21-22)11-9-5-6-10-11)14(18)16(19-20-17)12-7-3-2-4-8-12;;;;/h3-10H,11-16H2,1-2H3;2*2-11H,1H3;2-4,7-8,11H,5-6,9-10H2,1H3;4*1H4.
What are the key properties of 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?
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 has a molecular weight of 1438.05 g/mol, XLogP of 18.47, 11 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157461978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).