5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one

C23H31N7O2 — CID 169422948

IUPAC5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(C)c1N1NC2C(CC1=O)NNC2c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H31N7O2/c1-15-5-4-6-18(32-3)23(15)30-20(31)13-17-22(27-30)21(26-25-17)16-7-8-19(24-14-16)29-11-9-28(2)10-12-29/h4-8,14,17,21-22,25-27H,9-13H2,1-3H3
InChIKeyLLZPAJUQDUWKQT-UHFFFAOYSA-N
MW437.55 g/mol
LogP0.98
Rot. Bonds4

About 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one

5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 169422948) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID169422948
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(C)c1N1NC2C(CC1=O)NNC2c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H31N7O2/c1-15-5-4-6-18(32-3)23(15)30-20(31)13-17-22(27-30)21(26-25-17)16-7-8-19(24-14-16)29-11-9-28(2)10-12-29/h4-8,14,17,21-22,25-27H,9-13H2,1-3H3
InChIKeyLLZPAJUQDUWKQT-UHFFFAOYSA-N
XLogP0.98
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 169422948) is 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one is COc1cccc(C)c1N1NC2C(CC1=O)NNC2c1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is LLZPAJUQDUWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-15-5-4-6-18(32-3)23(15)30-20(31)13-17-22(27-30)21(26-25-17)16-7-8-19(24-14-16)29-11-9-28(2)10-12-29/h4-8,14,17,21-22,25-27H,9-13H2,1-3H3.
What are the key properties of 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one?
5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 437.55 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-6-methylphenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3,3a,4,7,7a-hexahydro-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 169422948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).