4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine

C81H82BrCl2FN22 — CID 158093498

IUPAC4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCN1CCN(CCn2nc(-c3cccn3C)c3c(Br)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(-c3cccn3C)c3c(F)c(-c4ccccc4)nnc32)CC1.Cn1nc(C2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc2nnc(-c3ccccc3)c(Cl)c2c1-c1ccccc1
InChIInChI=1S/C23H26BrN7.C23H26FN7.C18H13ClN4.C17H17ClN4/c2*1-28-11-13-30(14-12-28)15-16-31-23-19(22(27-31)18-9-6-10-29(18)2)20(24)21(25-26-23)17-7-4-3-5-8-17;1-23-17(13-10-6-3-7-11-13)14-15(19)16(20-21-18(14)22-23)12-8-4-2-5-9-12;1-22-17-13(15(21-22)11-9-5-6-10-11)14(18)16(19-20-17)12-7-3-2-4-8-12/h2*3-10H,11-16H2,1-2H3;2-11H,1H3;2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyFOJVCQAOHUHWPR-UHFFFAOYSA-N
MW1533.51 g/mol
LogP15.09
Rot. Bonds14

About 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine

4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine (PubChem CID 158093498) has the molecular formula C81H82BrCl2FN22 and a molecular weight of 1533.51 g/mol. Its IUPAC name is 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine
PubChem CID158093498
Molecular FormulaC81H82BrCl2FN22
Molecular Weight1533.51 g/mol
Exact Mass1530.56
IUPAC Name4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine
SMILESCN1CCN(CCn2nc(-c3cccn3C)c3c(Br)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(-c3cccn3C)c3c(F)c(-c4ccccc4)nnc32)CC1.Cn1nc(C2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc2nnc(-c3ccccc3)c(Cl)c2c1-c1ccccc1
InChIInChI=1S/C23H26BrN7.C23H26FN7.C18H13ClN4.C17H17ClN4/c2*1-28-11-13-30(14-12-28)15-16-31-23-19(22(27-31)18-9-6-10-29(18)2)20(24)21(25-26-23)17-7-4-3-5-8-17;1-23-17(13-10-6-3-7-11-13)14-15(19)16(20-21-18(14)22-23)12-8-4-2-5-9-12;1-22-17-13(15(21-22)11-9-5-6-10-11)14(18)16(19-20-17)12-7-3-2-4-8-12/h2*3-10H,11-16H2,1-2H3;2-11H,1H3;2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyFOJVCQAOHUHWPR-UHFFFAOYSA-N
XLogP15.09
TPSA197.22 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms107
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.51
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine (CID 158093498) is 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine is CN1CCN(CCn2nc(-c3cccn3C)c3c(Br)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(-c3cccn3C)c3c(F)c(-c4ccccc4)nnc32)CC1.Cn1nc(C2CCCC2)c2c(Cl)c(-c3ccccc3)nnc21.Cn1nc2nnc(-c3ccccc3)c(Cl)c2c1-c1ccccc1.
What is the InChIKey of 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine?
The InChIKey is FOJVCQAOHUHWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN7.C23H26FN7.C18H13ClN4.C17H17ClN4/c2*1-28-11-13-30(14-12-28)15-16-31-23-19(22(27-31)18-9-6-10-29(18)2)20(24)21(25-26-23)17-7-4-3-5-8-17;1-23-17(13-10-6-3-7-11-13)14-15(19)16(20-21-18(14)22-23)12-8-4-2-5-9-12;1-22-17-13(15(21-22)11-9-5-6-10-11)14(18)16(19-20-17)12-7-3-2-4-8-12/h2*3-10H,11-16H2,1-2H3;2-11H,1H3;2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine?
4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine has a molecular weight of 1533.51 g/mol, XLogP of 15.09, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-cyclopentyl-1-methyl-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-2-methyl-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-fluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(1-methylpyrrol-2-yl)-5-phenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 158093498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).