1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate

C176H148Cl8F4N38O8 — CID 160967010

IUPAC1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate
SMILESC=C1CN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CCN1C.CC(C)(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CC(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC(F)(F)C1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC[C@@H](F)C1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC[C@H](F)C1
InChIInChI=1S/C25H25ClN6.2C23H19ClFN5O.C22H16ClF2N5O.C22H18ClN5O.C21H19ClN4O.C20H15ClN4O2.C20H17ClN4O/c1-18-17-31(14-13-30(18)2)15-16-32-25-21(23(29-32)19-9-5-3-6-10-19)22(26)24(27-28-25)20-11-7-4-8-12-20;2*24-20-19-21(15-7-3-1-4-8-15)28-30(14-18(31)29-12-11-17(25)13-29)23(19)27-26-22(20)16-9-5-2-6-10-16;23-18-17-19(14-7-3-1-4-8-14)28-30(11-16(31)29-12-22(24,25)13-29)21(17)27-26-20(18)15-9-5-2-6-10-15;23-19-18-20(15-8-3-1-4-9-15)26-28(14-17(29)27-12-7-13-27)22(18)25-24-21(19)16-10-5-2-6-11-16;1-21(2,27)13-26-20-16(18(25-26)14-9-5-3-6-10-14)17(22)19(23-24-20)15-11-7-4-8-12-15;1-27-15(26)12-25-20-16(18(24-25)13-8-4-2-5-9-13)17(21)19(22-23-20)14-10-6-3-7-11-14;1-13(26)12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15/h3-12H,1,13-17H2,2H3;2*1-10,17H,11-14H2;1-10H,11-13H2;1-6,8-11H,7,12-14H2;3-12,27H,13H2,1-2H3;2-11H,12H2,1H3;2-11,13,26H,12H2,1H3/t;2*17-;;;;;/m.10...../s1
InChIKeySXTHIBQXIWQYHB-ZALOSTGISA-N
MW3282.99 g/mol
LogP34.45
Rot. Bonds33

About 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate

1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate (PubChem CID 160967010) has the molecular formula C176H148Cl8F4N38O8 and a molecular weight of 3282.99 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate
PubChem CID160967010
Molecular FormulaC176H148Cl8F4N38O8
Molecular Weight3282.99 g/mol
Exact Mass3276.98
IUPAC Name1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate
SMILESC=C1CN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CCN1C.CC(C)(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CC(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC(F)(F)C1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC[C@@H](F)C1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC[C@H](F)C1
InChIInChI=1S/C25H25ClN6.2C23H19ClFN5O.C22H16ClF2N5O.C22H18ClN5O.C21H19ClN4O.C20H15ClN4O2.C20H17ClN4O/c1-18-17-31(14-13-30(18)2)15-16-32-25-21(23(29-32)19-9-5-3-6-10-19)22(26)24(27-28-25)20-11-7-4-8-12-20;2*24-20-19-21(15-7-3-1-4-8-15)28-30(14-18(31)29-12-11-17(25)13-29)23(19)27-26-22(20)16-9-5-2-6-10-16;23-18-17-19(14-7-3-1-4-8-14)28-30(11-16(31)29-12-22(24,25)13-29)21(17)27-26-20(18)15-9-5-2-6-10-15;23-19-18-20(15-8-3-1-4-9-15)26-28(14-17(29)27-12-7-13-27)22(18)25-24-21(19)16-10-5-2-6-11-16;1-21(2,27)13-26-20-16(18(25-26)14-9-5-3-6-10-14)17(22)19(23-24-20)15-11-7-4-8-12-15;1-27-15(26)12-25-20-16(18(24-25)13-8-4-2-5-9-13)17(21)19(22-23-20)14-10-6-3-7-11-14;1-13(26)12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15/h3-12H,1,13-17H2,2H3;2*1-10,17H,11-14H2;1-10H,11-13H2;1-6,8-11H,7,12-14H2;3-12,27H,13H2,1-2H3;2-11H,12H2,1H3;2-11,13,26H,12H2,1H3/t;2*17-;;;;;/m.10...../s1
InChIKeySXTHIBQXIWQYHB-ZALOSTGISA-N
XLogP34.45
TPSA503.28 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds33
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003282.99
LogP ≤ 534.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate?
The IUPAC name of 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate (CID 160967010) is 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate?
The canonical SMILES for 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate is C=C1CN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CCN1C.CC(C)(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.CC(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.COC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC(F)(F)C1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC[C@@H](F)C1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CC[C@H](F)C1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate?
The InChIKey is SXTHIBQXIWQYHB-ZALOSTGISA-N. The full InChI is InChI=1S/C25H25ClN6.2C23H19ClFN5O.C22H16ClF2N5O.C22H18ClN5O.C21H19ClN4O.C20H15ClN4O2.C20H17ClN4O/c1-18-17-31(14-13-30(18)2)15-16-32-25-21(23(29-32)19-9-5-3-6-10-19)22(26)24(27-28-25)20-11-7-4-8-12-20;2*24-20-19-21(15-7-3-1-4-8-15)28-30(14-18(31)29-12-11-17(25)13-29)23(19)27-26-22(20)16-9-5-2-6-10-16;23-18-17-19(14-7-3-1-4-8-14)28-30(11-16(31)29-12-22(24,25)13-29)21(17)27-26-20(18)15-9-5-2-6-10-15;23-19-18-20(15-8-3-1-4-9-15)26-28(14-17(29)27-12-7-13-27)22(18)25-24-21(19)16-10-5-2-6-11-16;1-21(2,27)13-26-20-16(18(25-26)14-9-5-3-6-10-14)17(22)19(23-24-20)15-11-7-4-8-12-15;1-27-15(26)12-25-20-16(18(24-25)13-8-4-2-5-9-13)17(21)19(22-23-20)14-10-6-3-7-11-14;1-13(26)12-25-20-16(18(24-25)14-8-4-2-5-9-14)17(21)19(22-23-20)15-10-6-3-7-11-15/h3-12H,1,13-17H2,2H3;2*1-10,17H,11-14H2;1-10H,11-13H2;1-6,8-11H,7,12-14H2;3-12,27H,13H2,1-2H3;2-11H,12H2,1H3;2-11,13,26H,12H2,1H3/t;2*17-;;;;;/m.10...../s1.
What are the key properties of 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate?
1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate has a molecular weight of 3282.99 g/mol, XLogP of 34.45, 33 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3,3-difluoroazetidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-2-methylpropan-2-ol;1-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)propan-2-ol;4-chloro-1-[2-(4-methyl-3-methylidenepiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;methyl 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetate is sourced from PubChem (CID 160967010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).