4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine

C20H18N6O — CID 90400634

IUPAC4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESc1cnnc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)c1
InChIInChI=1S/C20H18N6O/c1-2-17(23-22-6-1)14-3-4-18-16(12-14)20(25-24-18)15-5-7-21-19(13-15)26-8-10-27-11-9-26/h1-7,12-13H,8-11H2,(H,24,25)
InChIKeyRIFFHJVLGCOPKY-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.92
Rot. Bonds3

About 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine

4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 90400634) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine
PubChem CID90400634
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESc1cnnc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)c1
InChIInChI=1S/C20H18N6O/c1-2-17(23-22-6-1)14-3-4-18-16(12-14)20(25-24-18)15-5-7-21-19(13-15)26-8-10-27-11-9-26/h1-7,12-13H,8-11H2,(H,24,25)
InChIKeyRIFFHJVLGCOPKY-UHFFFAOYSA-N
XLogP2.92
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine (CID 90400634) is 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine is c1cnnc(-c2ccc3[nH]nc(-c4ccnc(N5CCOCC5)c4)c3c2)c1.
What is the InChIKey of 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is RIFFHJVLGCOPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-2-17(23-22-6-1)14-3-4-18-16(12-14)20(25-24-18)15-5-7-21-19(13-15)26-8-10-27-11-9-26/h1-7,12-13H,8-11H2,(H,24,25).
What are the key properties of 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 358.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-pyridazin-3-yl-1H-indazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 90400634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).