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;methane

C94H88Cl4F4N20O4 — CID 160858547

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;methane
SMILESC.C.C.C.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/2C23H19ClFN5O.C22H16ClF2N5O.C22H18ClN5O.4CH4/c2*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;;;;/h2*1-10,17H,11-14H2;1-10H,11-13H2;1-6,8-11H,7,12-14H2;4*1H4/t2*17-;;;;;;/m10....../s1
InChIKeySKEJUFHWAUWHLX-RGGFUCOUSA-N
MW1779.68 g/mol
LogP19.65
Rot. Bonds16

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;methane

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;methane (PubChem CID 160858547) has the molecular formula C94H88Cl4F4N20O4 and a molecular weight of 1779.68 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;methane.

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;methane
PubChem CID160858547
Molecular FormulaC94H88Cl4F4N20O4
Molecular Weight1779.68 g/mol
Exact Mass1776.60
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;methane
SMILESC.C.C.C.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/2C23H19ClFN5O.C22H16ClF2N5O.C22H18ClN5O.4CH4/c2*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;;;;/h2*1-10,17H,11-14H2;1-10H,11-13H2;1-6,8-11H,7,12-14H2;4*1H4/t2*17-;;;;;;/m10....../s1
InChIKeySKEJUFHWAUWHLX-RGGFUCOUSA-N
XLogP19.65
TPSA255.64 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.68
LogP ≤ 519.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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;methane 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;methane?
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;methane (CID 160858547) 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;methane.
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;methane?
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;methane is C.C.C.C.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;methane?
The InChIKey is SKEJUFHWAUWHLX-RGGFUCOUSA-N. The full InChI is InChI=1S/2C23H19ClFN5O.C22H16ClF2N5O.C22H18ClN5O.4CH4/c2*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;;;;/h2*1-10,17H,11-14H2;1-10H,11-13H2;1-6,8-11H,7,12-14H2;4*1H4/t2*17-;;;;;;/m10....../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;methane?
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;methane has a molecular weight of 1779.68 g/mol, XLogP of 19.65, 16 rotatable bonds, 0 hydrogen bond donors, and 20 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;methane is sourced from PubChem (CID 160858547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).