2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol

C20H22N6O2 — CID 177382103

IUPAC2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCOc1cc(N2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)ccn1
InChIInChI=1S/C20H22N6O2/c1-28-19-12-14(6-7-22-19)25-8-10-26(11-9-25)17-13-16(23-24-20(17)21)15-4-2-3-5-18(15)27/h2-7,12-13,27H,8-11H2,1H3,(H2,21,24)
InChIKeyJLUSJUYKUYJTBL-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.16
Rot. Bonds4

About 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol (PubChem CID 177382103) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol
PubChem CID177382103
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCOc1cc(N2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)ccn1
InChIInChI=1S/C20H22N6O2/c1-28-19-12-14(6-7-22-19)25-8-10-26(11-9-25)17-13-16(23-24-20(17)21)15-4-2-3-5-18(15)27/h2-7,12-13,27H,8-11H2,1H3,(H2,21,24)
InChIKeyJLUSJUYKUYJTBL-UHFFFAOYSA-N
XLogP2.16
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol (CID 177382103) is 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol is COc1cc(N2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)ccn1.
What is the InChIKey of 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is JLUSJUYKUYJTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-19-12-14(6-7-22-19)25-8-10-26(11-9-25)17-13-16(23-24-20(17)21)15-4-2-3-5-18(15)27/h2-7,12-13,27H,8-11H2,1H3,(H2,21,24).
What are the key properties of 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 378.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 177382103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).