4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine

C68H64Cl4FI2N19O2 — CID 160795252

About 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine

4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine (PubChem CID 160795252) has the molecular formula C68H64Cl4FI2N19O2 and a molecular weight of 1594.01 g/mol. Its IUPAC name is 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine
• PubChem CID: 160795252
• Molecular Formula: C68H64Cl4FI2N19O2
• Molecular Weight: 1594.01 g/mol
• Exact Mass: 1591.23
• IUPAC Name: 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine
• SMILES: Cc1[nH]nc2nnc(-c3ccccc3)c(Cl)c12.Clc1c(-c2ccccc2)nnc2c1c(C1=CCOCC1)nn2CCN1CCCC1.Clc1c(-c2ccccc2)nnc2c1c(I)nn2CCN1CCCC1.O=C(Cn1nc(I)c2c(Cl)c(-c3ccccc3)nnc21)N1CC[C@@H](F)C1
• InChI: InChI=1S/C22H24ClN5O.C17H14ClFIN5O.C17H17ClIN5.C12H9ClN4/c23-19-18-20(17-8-14-29-15-9-17)26-28(13-12-27-10-4-5-11-27)22(18)25-24-21(19)16-6-2-1-3-7-16;18-14-13-16(20)23-25(9-12(26)24-7-6-11(19)8-24)17(13)22-21-15(14)10-4-2-1-3-5-10;18-14-13-16(19)22-24(11-10-23-8-4-5-9-23)17(13)21-20-15(14)12-6-2-1-3-7-12;1-7-9-10(13)11(8-5-3-2-4-6-8)15-17-12(9)16-14-7/h1-3,6-8H,4-5,9-15H2;1-5,11H,6-9H2;1-3,6-7H,4-5,8-11H2;2-6H,1H3,(H,14,16,17)/t;11-;;/m.1../s1
• InChIKey: SCIYHHKQJQZBHC-RNVHPDNESA-N
• XLogP: 14.20
• TPSA: 221.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.01
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine?

The IUPAC name of 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine (CID 160795252) is 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine?

The canonical SMILES for 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine is Cc1[nH]nc2nnc(-c3ccccc3)c(Cl)c12.Clc1c(-c2ccccc2)nnc2c1c(C1=CCOCC1)nn2CCN1CCCC1.Clc1c(-c2ccccc2)nnc2c1c(I)nn2CCN1CCCC1.O=C(Cn1nc(I)c2c(Cl)c(-c3ccccc3)nnc21)N1CC[C@@H](F)C1.

What is the InChIKey of 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine?

The InChIKey is SCIYHHKQJQZBHC-RNVHPDNESA-N. The full InChI is InChI=1S/C22H24ClN5O.C17H14ClFIN5O.C17H17ClIN5.C12H9ClN4/c23-19-18-20(17-8-14-29-15-9-17)26-28(13-12-27-10-4-5-11-27)22(18)25-24-21(19)16-6-2-1-3-7-16;18-14-13-16(20)23-25(9-12(26)24-7-6-11(19)8-24)17(13)22-21-15(14)10-4-2-1-3-5-10;18-14-13-16(19)22-24(11-10-23-8-4-5-9-23)17(13)21-20-15(14)12-6-2-1-3-7-12;1-7-9-10(13)11(8-5-3-2-4-6-8)15-17-12(9)16-14-7/h1-3,6-8H,4-5,9-15H2;1-5,11H,6-9H2;1-3,6-7H,4-5,8-11H2;2-6H,1H3,(H,14,16,17)/t;11-;;/m.1../s1.

What are the key properties of 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine?

4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine has a molecular weight of 1594.01 g/mol, XLogP of 14.20, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;2-(4-chloro-3-iodo-5-phenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;4-chloro-3-iodo-5-phenyl-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-c]pyridazine;4-chloro-3-methyl-5-phenyl-2H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 160795252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).