1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide

C18H20N6O — CID 6539558

IUPAC1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C18H20N6O/c1-24-9-7-13(8-10-24)18(25)19-16-14-11-15(12-5-3-2-4-6-12)20-22-17(14)23-21-16/h2-6,11,13H,7-10H2,1H3,(H2,19,21,22,23,25)
InChIKeyDSHMUQCEERJXOA-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.30
Rot. Bonds3

About 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide

1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 6539558) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide
PubChem CID6539558
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C18H20N6O/c1-24-9-7-13(8-10-24)18(25)19-16-14-11-15(12-5-3-2-4-6-12)20-22-17(14)23-21-16/h2-6,11,13H,7-10H2,1H3,(H2,19,21,22,23,25)
InChIKeyDSHMUQCEERJXOA-UHFFFAOYSA-N
XLogP2.30
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide 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 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide (CID 6539558) is 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide is CN1CCC(C(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is DSHMUQCEERJXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-24-9-7-13(8-10-24)18(25)19-16-14-11-15(12-5-3-2-4-6-12)20-22-17(14)23-21-16/h2-6,11,13H,7-10H2,1H3,(H2,19,21,22,23,25).
What are the key properties of 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide?
1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6539558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).