4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine

C22H25N7O — CID 59867420

IUPAC4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine
SMILESc1ccc(-c2cc(N3CCOCC3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C22H25N7O/c1-2-5-18(6-3-1)19-17-20(27-13-15-30-16-14-27)21(26-25-19)28-9-11-29(12-10-28)22-23-7-4-8-24-22/h1-8,17H,9-16H2
InChIKeyIWLSNEAMJLBTMF-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.10
Rot. Bonds4

About 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine

4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine (PubChem CID 59867420) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine
PubChem CID59867420
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine
SMILESc1ccc(-c2cc(N3CCOCC3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C22H25N7O/c1-2-5-18(6-3-1)19-17-20(27-13-15-30-16-14-27)21(26-25-19)28-9-11-29(12-10-28)22-23-7-4-8-24-22/h1-8,17H,9-16H2
InChIKeyIWLSNEAMJLBTMF-UHFFFAOYSA-N
XLogP2.10
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine?
The IUPAC name of 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine (CID 59867420) is 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine.
What is the SMILES notation for 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine?
The canonical SMILES for 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine is c1ccc(-c2cc(N3CCOCC3)c(N3CCN(c4ncccn4)CC3)nn2)cc1.
What is the InChIKey of 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine?
The InChIKey is IWLSNEAMJLBTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-2-5-18(6-3-1)19-17-20(27-13-15-30-16-14-27)21(26-25-19)28-9-11-29(12-10-28)22-23-7-4-8-24-22/h1-8,17H,9-16H2.
What are the key properties of 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine?
4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine has a molecular weight of 403.49 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine is sourced from PubChem (CID 59867420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).