3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide

C28H32N8O3 — CID 129057383

IUPAC3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-n2nc(-c3cc(-c4cnn(C5CCN(CCOC)CC5)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C28H32N8O3/c1-30-28(38)19-4-3-5-23(14-19)36-26(37)7-6-25(33-36)24-15-20(16-31-27(24)29)21-17-32-35(18-21)22-8-10-34(11-9-22)12-13-39-2/h3-7,14-18,22H,8-13H2,1-2H3,(H2,29,31)(H,30,38)
InChIKeyXJSLPSJVSNHJJL-UHFFFAOYSA-N
MW528.62 g/mol
LogP2.38
Rot. Bonds8

About 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide

3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide (PubChem CID 129057383) has the molecular formula C28H32N8O3 and a molecular weight of 528.62 g/mol. Its IUPAC name is 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide
PubChem CID129057383
Molecular FormulaC28H32N8O3
Molecular Weight528.62 g/mol
Exact Mass528.26
IUPAC Name3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-n2nc(-c3cc(-c4cnn(C5CCN(CCOC)CC5)c4)cnc3N)ccc2=O)c1
InChIInChI=1S/C28H32N8O3/c1-30-28(38)19-4-3-5-23(14-19)36-26(37)7-6-25(33-36)24-15-20(16-31-27(24)29)21-17-32-35(18-21)22-8-10-34(11-9-22)12-13-39-2/h3-7,14-18,22H,8-13H2,1-2H3,(H2,29,31)(H,30,38)
InChIKeyXJSLPSJVSNHJJL-UHFFFAOYSA-N
XLogP2.38
TPSA133.19 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.62
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide 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 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide?
The IUPAC name of 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide (CID 129057383) is 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide?
The canonical SMILES for 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide is CNC(=O)c1cccc(-n2nc(-c3cc(-c4cnn(C5CCN(CCOC)CC5)c4)cnc3N)ccc2=O)c1.
What is the InChIKey of 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide?
The InChIKey is XJSLPSJVSNHJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O3/c1-30-28(38)19-4-3-5-23(14-19)36-26(37)7-6-25(33-36)24-15-20(16-31-27(24)29)21-17-32-35(18-21)22-8-10-34(11-9-22)12-13-39-2/h3-7,14-18,22H,8-13H2,1-2H3,(H2,29,31)(H,30,38).
What are the key properties of 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide?
3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide has a molecular weight of 528.62 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-amino-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 129057383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).