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

C17H18N4O2 — CID 85472082

IUPAC4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESCOc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C17H18N4O2/c1-22-13-2-3-15-14(11-13)17(20-19-15)12-4-5-18-16(10-12)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyVHBADPUTWHZDSB-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.47
Rot. Bonds3

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

4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 85472082) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine
PubChem CID85472082
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine
SMILESCOc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C17H18N4O2/c1-22-13-2-3-15-14(11-13)17(20-19-15)12-4-5-18-16(10-12)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,19,20)
InChIKeyVHBADPUTWHZDSB-UHFFFAOYSA-N
XLogP2.47
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine (CID 85472082) is 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine is COc1ccc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is VHBADPUTWHZDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-13-2-3-15-14(11-13)17(20-19-15)12-4-5-18-16(10-12)21-6-8-23-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,19,20).
What are the key properties of 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 310.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methoxy-1H-indazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 85472082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).