[4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone

C23H24N4O2 — CID 127651596

IUPAC[4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
SMILESCCc1nc(-c2ccc(C(=O)N3CCOC4(CCc5ccccc54)C3)cc2)n[nH]1
InChIInChI=1S/C23H24N4O2/c1-2-20-24-21(26-25-20)17-7-9-18(10-8-17)22(28)27-13-14-29-23(15-27)12-11-16-5-3-4-6-19(16)23/h3-10H,2,11-15H2,1H3,(H,24,25,26)
InChIKeyQYMYYJCACKPQNO-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.35
Rot. Bonds3

About [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone

[4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone (PubChem CID 127651596) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone.

Molecular Properties

Compound Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
PubChem CID127651596
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone
SMILESCCc1nc(-c2ccc(C(=O)N3CCOC4(CCc5ccccc54)C3)cc2)n[nH]1
InChIInChI=1S/C23H24N4O2/c1-2-20-24-21(26-25-20)17-7-9-18(10-8-17)22(28)27-13-14-29-23(15-27)12-11-16-5-3-4-6-19(16)23/h3-10H,2,11-15H2,1H3,(H,24,25,26)
InChIKeyQYMYYJCACKPQNO-UHFFFAOYSA-N
XLogP3.35
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone?
The IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone (CID 127651596) is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone.
What is the SMILES notation for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone?
The canonical SMILES for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone is CCc1nc(-c2ccc(C(=O)N3CCOC4(CCc5ccccc54)C3)cc2)n[nH]1.
What is the InChIKey of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone?
The InChIKey is QYMYYJCACKPQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-20-24-21(26-25-20)17-7-9-18(10-8-17)22(28)27-13-14-29-23(15-27)12-11-16-5-3-4-6-19(16)23/h3-10H,2,11-15H2,1H3,(H,24,25,26).
What are the key properties of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone?
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone has a molecular weight of 388.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylmethanone is sourced from PubChem (CID 127651596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).