2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

C24H30N6O — CID 154598908

IUPAC2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1C[C@]2(C)CCC[C@](C)(C1)N2
InChIInChI=1S/C24H30N6O/c1-23-9-4-10-24(2,29-23)13-18(12-23)30(3)22-8-7-20(27-28-22)19-6-5-16(11-21(19)31)17-14-25-26-15-17/h5-8,11,14-15,18,29,31H,4,9-10,12-13H2,1-3H3,(H,25,26)/t18?,23-,24+
InChIKeyLGSKZUGVDIBIDD-OIPYLKGRSA-N
MW418.55 g/mol
LogP4.13
Rot. Bonds4

About 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 154598908) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID154598908
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1C[C@]2(C)CCC[C@](C)(C1)N2
InChIInChI=1S/C24H30N6O/c1-23-9-4-10-24(2,29-23)13-18(12-23)30(3)22-8-7-20(27-28-22)19-6-5-16(11-21(19)31)17-14-25-26-15-17/h5-8,11,14-15,18,29,31H,4,9-10,12-13H2,1-3H3,(H,25,26)/t18?,23-,24+
InChIKeyLGSKZUGVDIBIDD-OIPYLKGRSA-N
XLogP4.13
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-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 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 154598908) is 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1C[C@]2(C)CCC[C@](C)(C1)N2.
What is the InChIKey of 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is LGSKZUGVDIBIDD-OIPYLKGRSA-N. The full InChI is InChI=1S/C24H30N6O/c1-23-9-4-10-24(2,29-23)13-18(12-23)30(3)22-8-7-20(27-28-22)19-6-5-16(11-21(19)31)17-14-25-26-15-17/h5-8,11,14-15,18,29,31H,4,9-10,12-13H2,1-3H3,(H,25,26)/t18?,23-,24+.
What are the key properties of 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 418.55 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 154598908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).