4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide

C27H37N7O2 — CID 86710687

IUPAC4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2)cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C27H37N7O2/c1-26(2)13-20(14-27(3,4)32-26)34(6)24-11-9-22(30-31-24)21-12-19(8-10-23(21)36-7)25(35)28-15-18-16-29-33(5)17-18/h8-12,16-17,20,32H,13-15H2,1-7H3,(H,28,35)
InChIKeyPMXSGPFPTQJFSV-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.56
Rot. Bonds7

About 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide

4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide (PubChem CID 86710687) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide
PubChem CID86710687
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC Name4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2)cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1
InChIInChI=1S/C27H37N7O2/c1-26(2)13-20(14-27(3,4)32-26)34(6)24-11-9-22(30-31-24)21-12-19(8-10-23(21)36-7)25(35)28-15-18-16-29-33(5)17-18/h8-12,16-17,20,32H,13-15H2,1-7H3,(H,28,35)
InChIKeyPMXSGPFPTQJFSV-UHFFFAOYSA-N
XLogP3.56
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide (CID 86710687) is 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide is COc1ccc(C(=O)NCc2cnn(C)c2)cc1-c1ccc(N(C)C2CC(C)(C)NC(C)(C)C2)nn1.
What is the InChIKey of 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide?
The InChIKey is PMXSGPFPTQJFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-26(2)13-20(14-27(3,4)32-26)34(6)24-11-9-22(30-31-24)21-12-19(8-10-23(21)36-7)25(35)28-15-18-16-29-33(5)17-18/h8-12,16-17,20,32H,13-15H2,1-7H3,(H,28,35).
What are the key properties of 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide?
4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide has a molecular weight of 491.64 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 86710687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).