N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide

C27H30N6O2 — CID 20920416

IUPACN-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2nc3c(N4CCC(C(=O)NCc5ccccc5)CC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C27H30N6O2/c1-18-24-19(2)33(22-9-11-23(35-3)12-10-22)31-25(24)26(30-29-18)32-15-13-21(14-16-32)27(34)28-17-20-7-5-4-6-8-20/h4-12,21H,13-17H2,1-3H3,(H,28,34)
InChIKeyOHHYGWBCJAEBNV-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.97
Rot. Bonds6

About N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide

N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide (PubChem CID 20920416) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide
PubChem CID20920416
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2nc3c(N4CCC(C(=O)NCc5ccccc5)CC4)nnc(C)c3c2C)cc1
InChIInChI=1S/C27H30N6O2/c1-18-24-19(2)33(22-9-11-23(35-3)12-10-22)31-25(24)26(30-29-18)32-15-13-21(14-16-32)27(34)28-17-20-7-5-4-6-8-20/h4-12,21H,13-17H2,1-3H3,(H,28,34)
InChIKeyOHHYGWBCJAEBNV-UHFFFAOYSA-N
XLogP3.97
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-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

Related Compounds

1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 20920433
N-benzyl-1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperidine-3-carboxamide
CID 20920511
1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 20920444
1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 20920448
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 20920252
1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20920341
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 92691630
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20920264
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 92691632
N-benzyl-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53006530
1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-N-[(4-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 20920529
1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-N-pentylpiperidine-4-carboxamide
CID 134516412

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide (CID 20920416) is N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide is COc1ccc(-n2nc3c(N4CCC(C(=O)NCc5ccccc5)CC4)nnc(C)c3c2C)cc1.
What is the InChIKey of N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide?
The InChIKey is OHHYGWBCJAEBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-18-24-19(2)33(22-9-11-23(35-3)12-10-22)31-25(24)26(30-29-18)32-15-13-21(14-16-32)27(34)28-17-20-7-5-4-6-8-20/h4-12,21H,13-17H2,1-3H3,(H,28,34).
What are the key properties of N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide?
N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-(4-methoxyphenyl)-3,4-dimethylpyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20920416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).