4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine

C94H87Cl4F2N21O3 — CID 159137018

About 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine

4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine (PubChem CID 159137018) has the molecular formula C94H87Cl4F2N21O3 and a molecular weight of 1738.68 g/mol. Its IUPAC name is 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
• PubChem CID: 159137018
• Molecular Formula: C94H87Cl4F2N21O3
• Molecular Weight: 1738.68 g/mol
• Exact Mass: 1735.60
• IUPAC Name: 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
• SMILES: CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.Cc1cccc(-c2nn(CC(=O)N3CCCC3)c3nnc(-c4ccccc4)c(Cl)c23)c1.Fc1ccc(-c2nn(CCN3CCOCC3)c3nnc(-c4ccccc4)c(Cl)c23)cc1.O=C(Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCCC1
• InChI: InChI=1S/C24H25ClN6.C24H22ClN5O.C23H19ClFN5O.C23H21ClFN5O/c1-29-12-14-30(15-13-29)16-17-31-24-20(22(28-31)18-8-4-2-5-9-18)21(25)23(26-27-24)19-10-6-3-7-11-19;1-16-8-7-11-18(14-16)22-20-21(25)23(17-9-3-2-4-10-17)26-27-24(20)30(28-22)15-19(31)29-12-5-6-13-29;24-20-19-21(16-8-10-17(25)11-9-16)28-30(14-18(31)29-12-4-5-13-29)23(19)27-26-22(20)15-6-2-1-3-7-15;24-20-19-21(17-6-8-18(25)9-7-17)28-30(11-10-29-12-14-31-15-13-29)23(19)27-26-22(20)16-4-2-1-3-5-16/h2-11H,12-17H2,1H3;2-4,7-11,14H,5-6,12-13,15H2,1H3;1-3,6-11H,4-5,12-14H2;1-9H,10-15H2
• InChIKey: KHPUVYNMHSSSMR-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 233.97 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1738.68
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine (CID 159137018) is 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine is CN1CCN(CCn2nc(-c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.Cc1cccc(-c2nn(CC(=O)N3CCCC3)c3nnc(-c4ccccc4)c(Cl)c23)c1.Fc1ccc(-c2nn(CCN3CCOCC3)c3nnc(-c4ccccc4)c(Cl)c23)cc1.O=C(Cn1nc(-c2ccc(F)cc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCCC1.

What is the InChIKey of 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The InChIKey is KHPUVYNMHSSSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6.C24H22ClN5O.C23H19ClFN5O.C23H21ClFN5O/c1-29-12-14-30(15-13-29)16-17-31-24-20(22(28-31)18-8-4-2-5-9-18)21(25)23(26-27-24)19-10-6-3-7-11-19;1-16-8-7-11-18(14-16)22-20-21(25)23(17-9-3-2-4-10-17)26-27-24(20)30(28-22)15-19(31)29-12-5-6-13-29;24-20-19-21(16-8-10-17(25)11-9-16)28-30(14-18(31)29-12-4-5-13-29)23(19)27-26-22(20)15-6-2-1-3-7-15;24-20-19-21(17-6-8-18(25)9-7-17)28-30(11-10-29-12-14-31-15-13-29)23(19)27-26-22(20)16-4-2-1-3-5-16/h2-11H,12-17H2,1H3;2-4,7-11,14H,5-6,12-13,15H2,1H3;1-3,6-11H,4-5,12-14H2;1-9H,10-15H2.

What are the key properties of 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1738.68 g/mol, XLogP of 17.67, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]ethyl]morpholine;2-[4-chloro-3-(4-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;2-[4-chloro-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 159137018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).