2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol

C20H23N7O — CID 137029539

IUPAC2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
SMILESCn1cc(N2C3CCC2CN(c2cc(-c4ccccc4O)nnc2N)C3)cn1
InChIInChI=1S/C20H23N7O/c1-25-10-15(9-22-25)27-13-6-7-14(27)12-26(11-13)18-8-17(23-24-20(18)21)16-4-2-3-5-19(16)28/h2-5,8-10,13-14,28H,6-7,11-12H2,1H3,(H2,21,24)
InChIKeyCNOUHRLKIGJTLO-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.02
Rot. Bonds3

About 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol (PubChem CID 137029539) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
PubChem CID137029539
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
SMILESCn1cc(N2C3CCC2CN(c2cc(-c4ccccc4O)nnc2N)C3)cn1
InChIInChI=1S/C20H23N7O/c1-25-10-15(9-22-25)27-13-6-7-14(27)12-26(11-13)18-8-17(23-24-20(18)21)16-4-2-3-5-19(16)28/h2-5,8-10,13-14,28H,6-7,11-12H2,1H3,(H2,21,24)
InChIKeyCNOUHRLKIGJTLO-UHFFFAOYSA-N
XLogP2.02
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol with MolForge

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Related Compounds

Gne-064
CID 137029447
SMARCA-BD ligand 1 for Protac
CID 137045944
2-[6-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162644974
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
SMARCA2/4-ligand-6
CID 137029367
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
US10308614, Example 75
CID 137029374
US10308614, Example 76
CID 137029391
US10308614, Example 27
CID 137029453

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol (CID 137029539) is 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol is Cn1cc(N2C3CCC2CN(c2cc(-c4ccccc4O)nnc2N)C3)cn1.
What is the InChIKey of 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol?
The InChIKey is CNOUHRLKIGJTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-25-10-15(9-22-25)27-13-6-7-14(27)12-26(11-13)18-8-17(23-24-20(18)21)16-4-2-3-5-19(16)28/h2-5,8-10,13-14,28H,6-7,11-12H2,1H3,(H2,21,24).
What are the key properties of 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol has a molecular weight of 377.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[8-(1-methylpyrazol-4-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).