4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C53H67N9O2 — CID 137046698

IUPAC4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCN(c1ccc(-c2cc(-c3cc4ccccc4[nH]3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc(C3=CCCC3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H33N5O.C25H34N4O/c1-27(2)16-20(17-28(3,4)32-27)33(5)26-13-11-23(30-31-26)21-14-19(10-12-25(21)34)24-15-18-8-6-7-9-22(18)29-24;1-24(2)15-19(16-25(3,4)28-24)29(5)23-13-11-21(26-27-23)20-14-18(10-12-22(20)30)17-8-6-7-9-17/h6-15,20,29,32,34H,16-17H2,1-5H3;8,10-14,19,28,30H,6-7,9,15-16H2,1-5H3
InChIKeyKSBDXGDKVPSINU-UHFFFAOYSA-N
MW862.18 g/mol
LogP10.90
Rot. Bonds8

About 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 137046698) has the molecular formula C53H67N9O2 and a molecular weight of 862.18 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID137046698
Molecular FormulaC53H67N9O2
Molecular Weight862.18 g/mol
Exact Mass861.54
IUPAC Name4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCN(c1ccc(-c2cc(-c3cc4ccccc4[nH]3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc(C3=CCCC3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C28H33N5O.C25H34N4O/c1-27(2)16-20(17-28(3,4)32-27)33(5)26-13-11-23(30-31-26)21-14-19(10-12-25(21)34)24-15-18-8-6-7-9-22(18)29-24;1-24(2)15-19(16-25(3,4)28-24)29(5)23-13-11-21(26-27-23)20-14-18(10-12-22(20)30)17-8-6-7-9-17/h6-15,20,29,32,34H,16-17H2,1-5H3;8,10-14,19,28,30H,6-7,9,15-16H2,1-5H3
InChIKeyKSBDXGDKVPSINU-UHFFFAOYSA-N
XLogP10.90
TPSA138.35 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.18
LogP ≤ 510.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol 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 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 137046698) is 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CN(c1ccc(-c2cc(-c3cc4ccccc4[nH]3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc(C3=CCCC3)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is KSBDXGDKVPSINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O.C25H34N4O/c1-27(2)16-20(17-28(3,4)32-27)33(5)26-13-11-23(30-31-26)21-14-19(10-12-25(21)34)24-15-18-8-6-7-9-22(18)29-24;1-24(2)15-19(16-25(3,4)28-24)29(5)23-13-11-21(26-27-23)20-14-18(10-12-22(20)30)17-8-6-7-9-17/h6-15,20,29,32,34H,16-17H2,1-5H3;8,10-14,19,28,30H,6-7,9,15-16H2,1-5H3.
What are the key properties of 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 862.18 g/mol, XLogP of 10.90, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol;4-(1H-indol-2-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 137046698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).