2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride

C40H52Cl5N11O2S — CID 157220983

IUPAC2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)s3)nn2)CC(C)(C)N1.Cl.Cl.Cl.Cl.Cl.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC3(CCNCC3)C2)nn1
InChIInChI=1S/C20H22N6O.C20H25N5OS.5ClH/c27-18-9-14(15-10-22-23-11-15)1-2-16(18)17-3-4-19(25-24-17)26-12-20(13-26)5-7-21-8-6-20;1-19(2)9-14(10-20(3,4)25-19)26-18-8-5-15(23-24-18)17-7-6-16(27-17)13-11-21-22-12-13;;;;;/h1-4,9-11,21,27H,5-8,12-13H2,(H,22,23);5-8,11-12,14,25H,9-10H2,1-4H3,(H,21,22);5*1H
InChIKeyKBTCAYCSUXEYME-UHFFFAOYSA-N
MW928.26 g/mol
LogP8.82
Rot. Bonds7

About 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride

2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride (PubChem CID 157220983) has the molecular formula C40H52Cl5N11O2S and a molecular weight of 928.26 g/mol. Its IUPAC name is 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride.

Molecular Properties

Compound Name2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride
PubChem CID157220983
Molecular FormulaC40H52Cl5N11O2S
Molecular Weight928.26 g/mol
Exact Mass925.25
IUPAC Name2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)s3)nn2)CC(C)(C)N1.Cl.Cl.Cl.Cl.Cl.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC3(CCNCC3)C2)nn1
InChIInChI=1S/C20H22N6O.C20H25N5OS.5ClH/c27-18-9-14(15-10-22-23-11-15)1-2-16(18)17-3-4-19(25-24-17)26-12-20(13-26)5-7-21-8-6-20;1-19(2)9-14(10-20(3,4)25-19)26-18-8-5-15(23-24-18)17-7-6-16(27-17)13-11-21-22-12-13;;;;;/h1-4,9-11,21,27H,5-8,12-13H2,(H,22,23);5-8,11-12,14,25H,9-10H2,1-4H3,(H,21,22);5*1H
InChIKeyKBTCAYCSUXEYME-UHFFFAOYSA-N
XLogP8.82
TPSA165.68 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500928.26
LogP ≤ 58.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride 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 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride?
The IUPAC name of 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride (CID 157220983) is 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride.
What is the SMILES notation for 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride?
The canonical SMILES for 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)s3)nn2)CC(C)(C)N1.Cl.Cl.Cl.Cl.Cl.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC3(CCNCC3)C2)nn1.
What is the InChIKey of 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride?
The InChIKey is KBTCAYCSUXEYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O.C20H25N5OS.5ClH/c27-18-9-14(15-10-22-23-11-15)1-2-16(18)17-3-4-19(25-24-17)26-12-20(13-26)5-7-21-8-6-20;1-19(2)9-14(10-20(3,4)25-19)26-18-8-5-15(23-24-18)17-7-6-16(27-17)13-11-21-22-12-13;;;;;/h1-4,9-11,21,27H,5-8,12-13H2,(H,22,23);5-8,11-12,14,25H,9-10H2,1-4H3,(H,21,22);5*1H.
What are the key properties of 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride?
2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride has a molecular weight of 928.26 g/mol, XLogP of 8.82, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,7-diazaspiro[3.5]nonan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[5-(1H-pyrazol-4-yl)thiophen-2-yl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine;pentahydrochloride is sourced from PubChem (CID 157220983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).