4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine

C17H19N3O2 — CID 174558278

IUPAC4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine
SMILESC1=C(CN2CCOCC2)OC(c2ccc3[nH]ncc3c2)=CC1
InChIInChI=1S/C17H19N3O2/c1-2-15(12-20-6-8-21-9-7-20)22-17(3-1)13-4-5-16-14(10-13)11-18-19-16/h2-5,10-11H,1,6-9,12H2,(H,18,19)
InChIKeyDFICLCQUVQKDBN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds3

About 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine

4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine (PubChem CID 174558278) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine
PubChem CID174558278
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine
SMILESC1=C(CN2CCOCC2)OC(c2ccc3[nH]ncc3c2)=CC1
InChIInChI=1S/C17H19N3O2/c1-2-15(12-20-6-8-21-9-7-20)22-17(3-1)13-4-5-16-14(10-13)11-18-19-16/h2-5,10-11H,1,6-9,12H2,(H,18,19)
InChIKeyDFICLCQUVQKDBN-UHFFFAOYSA-N
XLogP2.54
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine?
The IUPAC name of 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine (CID 174558278) is 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine is C1=C(CN2CCOCC2)OC(c2ccc3[nH]ncc3c2)=CC1.
What is the InChIKey of 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine?
The InChIKey is DFICLCQUVQKDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-15(12-20-6-8-21-9-7-20)22-17(3-1)13-4-5-16-14(10-13)11-18-19-16/h2-5,10-11H,1,6-9,12H2,(H,18,19).
What are the key properties of 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine?
4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine has a molecular weight of 297.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1H-indazol-5-yl)-4H-pyran-2-yl]methyl]morpholine is sourced from PubChem (CID 174558278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).