2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol

C22H22N4O — CID 137029397

IUPAC2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N4O/c23-22-19(14-20(24-25-22)18-8-4-5-9-21(18)27)17-10-12-26(13-11-17)15-16-6-2-1-3-7-16/h1-10,14,27H,11-13,15H2,(H2,23,25)
InChIKeyNXPRAEIFHKRCER-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.72
Rot. Bonds4

About 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol (PubChem CID 137029397) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol
PubChem CID137029397
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N4O/c23-22-19(14-20(24-25-22)18-8-4-5-9-21(18)27)17-10-12-26(13-11-17)15-16-6-2-1-3-7-16/h1-10,14,27H,11-13,15H2,(H2,23,25)
InChIKeyNXPRAEIFHKRCER-UHFFFAOYSA-N
XLogP3.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
SMARCA-BD ligand 1 for Protac
CID 137045944
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
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
Smarca2/4-IN-2
CID 136145607
2-[6-(2-Diethylamino-2-methyl-propylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 135795216
2-(6-Amino-5-phenyl-pyridazin-3-yl)-4-fluoro-phenol
CID 137029413
US10308614, Example 231
CID 137029431
US10308614, Example 232
CID 137029433

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol (CID 137029397) is 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1C1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol?
The InChIKey is NXPRAEIFHKRCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-22-19(14-20(24-25-22)18-8-4-5-9-21(18)27)17-10-12-26(13-11-17)15-16-6-2-1-3-7-16/h1-10,14,27H,11-13,15H2,(H2,23,25).
What are the key properties of 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol has a molecular weight of 358.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).