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

C18H20N4O — CID 123590663

IUPAC4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESCCc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C18H20N4O/c1-2-13-3-4-16-15(11-13)18(21-20-16)14-5-6-19-17(12-14)22-7-9-23-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,20,21)
InChIKeyOSIMEUAEGWSVPT-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.02
Rot. Bonds3

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

4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 123590663) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
PubChem CID123590663
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESCCc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C18H20N4O/c1-2-13-3-4-16-15(11-13)18(21-20-16)14-5-6-19-17(12-14)22-7-9-23-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,20,21)
InChIKeyOSIMEUAEGWSVPT-UHFFFAOYSA-N
XLogP3.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine (CID 123590663) is 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine is CCc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is OSIMEUAEGWSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-13-3-4-16-15(11-13)18(21-20-16)14-5-6-19-17(12-14)22-7-9-23-10-8-22/h3-6,11-12H,2,7-10H2,1H3,(H,20,21).
What are the key properties of 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 308.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 123590663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).