2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine

C76H79Cl4F2N23O — CID 160771843

About 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine

2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine (PubChem CID 160771843) has the molecular formula C76H79Cl4F2N23O and a molecular weight of 1510.44 g/mol. Its IUPAC name is 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
• PubChem CID: 160771843
• Molecular Formula: C76H79Cl4F2N23O
• Molecular Weight: 1510.44 g/mol
• Exact Mass: 1507.56
• IUPAC Name: 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
• SMILES: CC(F)(F)c1nn(CC(=O)N2CCCC2)c2nnc(-c3ccccc3)c(Cl)c12.CN1CCN(CCn2nc(-c3ccccn3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(N3CCCC3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.Cc1n[nH]c2nnc(-c3ccccc3)c(Cl)c12
• InChI: InChI=1S/C23H24ClN7.C22H28ClN7.C19H18ClF2N5O.C12H9ClN4/c1-29-11-13-30(14-12-29)15-16-31-23-19(22(28-31)18-9-5-6-10-25-18)20(24)21(26-27-23)17-7-3-2-4-8-17;1-27-11-13-28(14-12-27)15-16-30-21-18(22(26-30)29-9-5-6-10-29)19(23)20(24-25-21)17-7-3-2-4-8-17;1-19(21,22)17-14-15(20)16(12-7-3-2-4-8-12)23-24-18(14)27(25-17)11-13(28)26-9-5-6-10-26;1-7-9-10(13)11(8-5-3-2-4-6-8)15-17-12(9)16-14-7/h2-10H,11-16H2,1H3;2-4,7-8H,5-6,9-16H2,1H3;2-4,7-8H,5-6,9-11H2,1H3;2-6H,1H3,(H,14,16,17)
• InChIKey: RZKOJWYQCCDBLD-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 234.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1510.44
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine (CID 160771843) is 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine is CC(F)(F)c1nn(CC(=O)N2CCCC2)c2nnc(-c3ccccc3)c(Cl)c12.CN1CCN(CCn2nc(-c3ccccn3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(N3CCCC3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.Cc1n[nH]c2nnc(-c3ccccc3)c(Cl)c12.

What is the InChIKey of 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine?

The InChIKey is RZKOJWYQCCDBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7.C22H28ClN7.C19H18ClF2N5O.C12H9ClN4/c1-29-11-13-30(14-12-29)15-16-31-23-19(22(28-31)18-9-5-6-10-25-18)20(24)21(26-27-23)17-7-3-2-4-8-17;1-27-11-13-28(14-12-27)15-16-30-21-18(22(26-30)29-9-5-6-10-29)19(23)20(24-25-21)17-7-3-2-4-8-17;1-19(21,22)17-14-15(20)16(12-7-3-2-4-8-12)23-24-18(14)27(25-17)11-13(28)26-9-5-6-10-26;1-7-9-10(13)11(8-5-3-2-4-6-8)15-17-12(9)16-14-7/h2-10H,11-16H2,1H3;2-4,7-8H,5-6,9-16H2,1H3;2-4,7-8H,5-6,9-11H2,1H3;2-6H,1H3,(H,14,16,17).

What are the key properties of 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine?

2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine has a molecular weight of 1510.44 g/mol, XLogP of 13.31, 15 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-3-(1,1-difluoroethyl)-5-phenylpyrazolo[3,4-c]pyridazin-1-yl]-1-pyrrolidin-1-ylethanone;4-chloro-3-methyl-5-phenyl-1H-pyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyridin-2-ylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 160771843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).