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

C69H61Cl3F5N15 — CID 158277842

About 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

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 (PubChem CID 158277842) has the molecular formula C69H61Cl3F5N15 and a molecular weight of 1301.70 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158277842
• Molecular Formula: C69H61Cl3F5N15
• Molecular Weight: 1301.70 g/mol
• Exact Mass: 1299.42
• IUPAC Name: 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
• SMILES: Cc1cccc(-c2nn(CCN3CC[C@@H](F)C3)c3nnc(-c4ccccc4)c(Cl)c23)c1.FC1(F)CN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.Fc1ccc(-c2nn(CCN3CC[C@@H](F)C3)c3nnc(-c4ccccc4)c(Cl)c23)cc1
• InChI: InChI=1S/C24H23ClFN5.C23H20ClF2N5.C22H18ClF2N5/c1-16-6-5-9-18(14-16)22-20-21(25)23(17-7-3-2-4-8-17)27-28-24(20)31(29-22)13-12-30-11-10-19(26)15-30;24-20-19-21(16-6-8-17(25)9-7-16)29-31(13-12-30-11-10-18(26)14-30)23(19)28-27-22(20)15-4-2-1-3-5-15;23-18-17-19(15-7-3-1-4-8-15)28-30(12-11-29-13-22(24,25)14-29)21(17)27-26-20(18)16-9-5-2-6-10-16/h2-9,14,19H,10-13,15H2,1H3;1-9,18H,10-14H2;1-10H,11-14H2/t19-;18-;/m11./s1
• InChIKey: GJVIPGHBGFLXLB-YFWBCSABSA-N
• XLogP: 14.93
• TPSA: 140.52 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1301.70
LogP ≤ 5	14.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 158277842) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1cccc(-c2nn(CCN3CC[C@@H](F)C3)c3nnc(-c4ccccc4)c(Cl)c23)c1.FC1(F)CN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)C1.Fc1ccc(-c2nn(CCN3CC[C@@H](F)C3)c3nnc(-c4ccccc4)c(Cl)c23)cc1.

What is the InChIKey of 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?

The InChIKey is GJVIPGHBGFLXLB-YFWBCSABSA-N. The full InChI is InChI=1S/C24H23ClFN5.C23H20ClF2N5.C22H18ClF2N5/c1-16-6-5-9-18(14-16)22-20-21(25)23(17-7-3-2-4-8-17)27-28-24(20)31(29-22)13-12-30-11-10-19(26)15-30;24-20-19-21(16-6-8-17(25)9-7-16)29-31(13-12-30-11-10-18(26)14-30)23(19)28-27-22(20)15-4-2-1-3-5-15;23-18-17-19(15-7-3-1-4-8-15)28-30(12-11-29-13-22(24,25)14-29)21(17)27-26-20(18)16-9-5-2-6-10-16/h2-9,14,19H,10-13,15H2,1H3;1-9,18H,10-14H2;1-10H,11-14H2/t19-;18-;/m11./s1.

What are the key properties of 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?

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 has a molecular weight of 1301.70 g/mol, XLogP of 14.93, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158277842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).