azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone

C24H26N4O2 — CID 6411213

IUPACazepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone
SMILESCOc1ccc(-c2ccc(Nc3ccc(C(=O)N4CCCCCC4)cc3)nn2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-21-12-8-18(9-13-21)22-14-15-23(27-26-22)25-20-10-6-19(7-11-20)24(29)28-16-4-2-3-5-17-28/h6-15H,2-5,16-17H2,1H3,(H,25,27)
InChIKeyFBRMVTBYBCSQCB-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.91
Rot. Bonds5

About azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone

azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone (PubChem CID 6411213) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone
PubChem CID6411213
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Nameazepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone
SMILESCOc1ccc(-c2ccc(Nc3ccc(C(=O)N4CCCCCC4)cc3)nn2)cc1
InChIInChI=1S/C24H26N4O2/c1-30-21-12-8-18(9-13-21)22-14-15-23(27-26-22)25-20-10-6-19(7-11-20)24(29)28-16-4-2-3-5-17-28/h6-15H,2-5,16-17H2,1H3,(H,25,27)
InChIKeyFBRMVTBYBCSQCB-UHFFFAOYSA-N
XLogP4.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone?
The IUPAC name of azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone (CID 6411213) is azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone?
The canonical SMILES for azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone is COc1ccc(-c2ccc(Nc3ccc(C(=O)N4CCCCCC4)cc3)nn2)cc1.
What is the InChIKey of azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone?
The InChIKey is FBRMVTBYBCSQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-21-12-8-18(9-13-21)22-14-15-23(27-26-22)25-20-10-6-19(7-11-20)24(29)28-16-4-2-3-5-17-28/h6-15H,2-5,16-17H2,1H3,(H,25,27).
What are the key properties of azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone?
azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone has a molecular weight of 402.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[[6-(4-methoxyphenyl)pyridazin-3-yl]amino]phenyl]methanone is sourced from PubChem (CID 6411213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).