2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol

C21H22N4O2 — CID 154573640

IUPAC2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)27-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24)/t16-/m1/s1
InChIKeyJOLHNCATQIAQLA-MRXNPFEDSA-N
MW362.43 g/mol
LogP3.48
Rot. Bonds4

About 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol (PubChem CID 154573640) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
PubChem CID154573640
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C21H22N4O2/c22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)27-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24)/t16-/m1/s1
InChIKeyJOLHNCATQIAQLA-MRXNPFEDSA-N
XLogP3.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Sgc-smarca-brdviii
CID 137045929
SMARCA-BD ligand 1 for Protac
CID 137045944
1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
CID 154573641
US10308614, Example 45
CID 137029366
US10308614, Example 6
CID 137029398
US10308614, Example 8
CID 137029438
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
4-[6-(2-Phenylmethoxyphenyl)pyridazin-3-yl]morpholine
CID 46226110
(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
CID 162645940
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
(3S,4R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
CID 162670244
US10308614, Example 76
CID 137029391

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol (CID 154573640) is 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](Oc2ccccc2)C1.
What is the InChIKey of 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is JOLHNCATQIAQLA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-21-19(13-18(23-24-21)17-10-4-5-11-20(17)26)25-12-6-9-16(14-25)27-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16,26H,6,9,12,14H2,(H2,22,24)/t16-/m1/s1.
What are the key properties of 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 362.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(3R)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 154573640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).