4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine

C73H80Cl3F2N19O — CID 157368020

IUPAC4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine
SMILESCN1CCN(CCn2nc(-c3ccc(C(C)(F)F)nc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(/C=C/c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.COC/C=C/c1nn(CCN2CCN(C)CC2)c2nnc(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C26H27ClN6.C25H26ClF2N7.C22H27ClN6O/c1-31-14-16-32(17-15-31)18-19-33-26-23(22(30-33)13-12-20-8-4-2-5-9-20)24(27)25(28-29-26)21-10-6-3-7-11-21;1-25(27,28)19-9-8-18(16-29-19)22-20-21(26)23(17-6-4-3-5-7-17)30-31-24(20)35(32-22)15-14-34-12-10-33(2)11-13-34;1-27-10-12-28(13-11-27)14-15-29-22-19(18(26-29)9-6-16-30-2)20(23)21(24-25-22)17-7-4-3-5-8-17/h2-13H,14-19H2,1H3;3-9,16H,10-15H2,1-2H3;3-9H,10-16H2,1-2H3/b13-12+;;9-6+
InChIKeyBJKOYAXAWTXHBD-UKENNOJKSA-N
MW1383.93 g/mol
LogP12.19
Rot. Bonds19

About 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine

4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine (PubChem CID 157368020) has the molecular formula C73H80Cl3F2N19O and a molecular weight of 1383.93 g/mol. Its IUPAC name is 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine
PubChem CID157368020
Molecular FormulaC73H80Cl3F2N19O
Molecular Weight1383.93 g/mol
Exact Mass1381.58
IUPAC Name4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine
SMILESCN1CCN(CCn2nc(-c3ccc(C(C)(F)F)nc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(/C=C/c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.COC/C=C/c1nn(CCN2CCN(C)CC2)c2nnc(-c3ccccc3)c(Cl)c12
InChIInChI=1S/C26H27ClN6.C25H26ClF2N7.C22H27ClN6O/c1-31-14-16-32(17-15-31)18-19-33-26-23(22(30-33)13-12-20-8-4-2-5-9-20)24(27)25(28-29-26)21-10-6-3-7-11-21;1-25(27,28)19-9-8-18(16-29-19)22-20-21(26)23(17-6-4-3-5-7-17)30-31-24(20)35(32-22)15-14-34-12-10-33(2)11-13-34;1-27-10-12-28(13-11-27)14-15-29-22-19(18(26-29)9-6-16-30-2)20(23)21(24-25-22)17-7-4-3-5-8-17/h2-13H,14-19H2,1H3;3-9,16H,10-15H2,1-2H3;3-9H,10-16H2,1-2H3/b13-12+;;9-6+
InChIKeyBJKOYAXAWTXHBD-UKENNOJKSA-N
XLogP12.19
TPSA172.36 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001383.93
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[2-(trifluoromethyl)pyridin-4-yl]pyrazolo[3,4-c]pyridazine
CID 74220954
4-Chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[6-(trifluoromethyl)pyridin-3-yl]pyrazolo[3,4-c]pyridazine
CID 90109489
4-Chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine
CID 90141946
4-Chloro-3-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine
CID 90141989
4-Chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
CID 134413659
4-Chloro-5-cyclohexa-1,3-dien-1-yl-1-[2-(4-methylpiperazin-1-yl)ethyl]-3-[6-(trifluoromethyl)pyridin-3-yl]pyrazolo[3,4-c]pyridazine
CID 135161368
4-Chloro-1-[2-[4-[4-[4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3-(3-fluorophenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 145207754
4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 157098914
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(3-ethynylpiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 157197394
4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine
CID 157337926
4-chloro-3-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;[3-[4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazin-3-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 157361880
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 157639429

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine (CID 157368020) is 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine is CN1CCN(CCn2nc(-c3ccc(C(C)(F)F)nc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.CN1CCN(CCn2nc(/C=C/c3ccccc3)c3c(Cl)c(-c4ccccc4)nnc32)CC1.COC/C=C/c1nn(CCN2CCN(C)CC2)c2nnc(-c3ccccc3)c(Cl)c12.
What is the InChIKey of 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine?
The InChIKey is BJKOYAXAWTXHBD-UKENNOJKSA-N. The full InChI is InChI=1S/C26H27ClN6.C25H26ClF2N7.C22H27ClN6O/c1-31-14-16-32(17-15-31)18-19-33-26-23(22(30-33)13-12-20-8-4-2-5-9-20)24(27)25(28-29-26)21-10-6-3-7-11-21;1-25(27,28)19-9-8-18(16-29-19)22-20-21(26)23(17-6-4-3-5-7-17)30-31-24(20)35(32-22)15-14-34-12-10-33(2)11-13-34;1-27-10-12-28(13-11-27)14-15-29-22-19(18(26-29)9-6-16-30-2)20(23)21(24-25-22)17-7-4-3-5-8-17/h2-13H,14-19H2,1H3;3-9,16H,10-15H2,1-2H3;3-9H,10-16H2,1-2H3/b13-12+;;9-6+.
What are the key properties of 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine?
4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine has a molecular weight of 1383.93 g/mol, XLogP of 12.19, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-3-[(E)-3-methoxyprop-1-enyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-phenyl-3-[(E)-2-phenylethenyl]pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 157368020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).