2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

C39H43N11O2 — CID 137197233

IUPAC2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCCN1CC=C(c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CCNCC1
InChIInChI=1S/C20H21N5O.C19H22N6O/c1-2-25-9-7-14(8-10-25)18-5-6-19(24-23-18)17-4-3-15(11-20(17)26)16-12-21-22-13-16;1-25(15-6-8-20-9-7-15)19-5-4-17(23-24-19)16-3-2-13(10-18(16)26)14-11-21-22-12-14/h3-7,11-13,26H,2,8-10H2,1H3,(H,21,22);2-5,10-12,15,20,26H,6-9H2,1H3,(H,21,22)
InChIKeyPRVTXYSTKGABCC-UHFFFAOYSA-N
MW697.85 g/mol
LogP5.78
Rot. Bonds8

About 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 137197233) has the molecular formula C39H43N11O2 and a molecular weight of 697.85 g/mol. Its IUPAC name is 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID137197233
Molecular FormulaC39H43N11O2
Molecular Weight697.85 g/mol
Exact Mass697.36
IUPAC Name2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCCN1CC=C(c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CCNCC1
InChIInChI=1S/C20H21N5O.C19H22N6O/c1-2-25-9-7-14(8-10-25)18-5-6-19(24-23-18)17-4-3-15(11-20(17)26)16-12-21-22-13-16;1-25(15-6-8-20-9-7-15)19-5-4-17(23-24-19)16-3-2-13(10-18(16)26)14-11-21-22-12-14/h3-7,11-13,26H,2,8-10H2,1H3,(H,21,22);2-5,10-12,15,20,26H,6-9H2,1H3,(H,21,22)
InChIKeyPRVTXYSTKGABCC-UHFFFAOYSA-N
XLogP5.78
TPSA167.89 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500697.85
LogP ≤ 55.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 137197233) is 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is CCN1CC=C(c2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC1.CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CCNCC1.
What is the InChIKey of 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is PRVTXYSTKGABCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.C19H22N6O/c1-2-25-9-7-14(8-10-25)18-5-6-19(24-23-18)17-4-3-15(11-20(17)26)16-12-21-22-13-16;1-25(15-6-8-20-9-7-15)19-5-4-17(23-24-19)16-3-2-13(10-18(16)26)14-11-21-22-12-14/h3-7,11-13,26H,2,8-10H2,1H3,(H,21,22);2-5,10-12,15,20,26H,6-9H2,1H3,(H,21,22).
What are the key properties of 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 697.85 g/mol, XLogP of 5.78, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl(piperidin-4-yl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 137197233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).