4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]

C23H21N5O — CID 133413447

IUPAC4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESc1ccc(-c2cc(N3CCOC4(CCc5ccccc54)C3)n3ncnc3n2)cc1
InChIInChI=1S/C23H21N5O/c1-2-7-18(8-3-1)20-14-21(28-22(26-20)24-16-25-28)27-12-13-29-23(15-27)11-10-17-6-4-5-9-19(17)23/h1-9,14,16H,10-13,15H2
InChIKeyAQDLHVBZEZZDIV-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.47
Rot. Bonds2

About 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]

4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine] (PubChem CID 133413447) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine].

Molecular Properties

Compound Name4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
PubChem CID133413447
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
SMILESc1ccc(-c2cc(N3CCOC4(CCc5ccccc54)C3)n3ncnc3n2)cc1
InChIInChI=1S/C23H21N5O/c1-2-7-18(8-3-1)20-14-21(28-22(26-20)24-16-25-28)27-12-13-29-23(15-27)11-10-17-6-4-5-9-19(17)23/h1-9,14,16H,10-13,15H2
InChIKeyAQDLHVBZEZZDIV-UHFFFAOYSA-N
XLogP3.47
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine] with MolForge

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Related Compounds

7-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-oxa-7-azaspiro[3.5]nonane
CID 138992021
2-methyl-2-(1-methylpyrazol-4-yl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 127470262
7-nitro-2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 133350243
5-methoxy-2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3,4-dihydro-1H-isoquinoline
CID 133450471
N-cyclopropyl-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine
CID 127616496
4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 127652721
5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75369292
4'-(8-methylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413414
6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyridine-3-carbonitrile
CID 133413419
4'-(2-pyridin-4-ylquinazolin-4-yl)spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413278
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878

Frequently Asked Questions

What is the IUPAC name of 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The IUPAC name of 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine] (CID 133413447) is 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine].
What is the SMILES notation for 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The canonical SMILES for 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine] is c1ccc(-c2cc(N3CCOC4(CCc5ccccc54)C3)n3ncnc3n2)cc1.
What is the InChIKey of 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
The InChIKey is AQDLHVBZEZZDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-2-7-18(8-3-1)20-14-21(28-22(26-20)24-16-25-28)27-12-13-29-23(15-27)11-10-17-6-4-5-9-19(17)23/h1-9,14,16H,10-13,15H2.
What are the key properties of 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine]?
4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine] has a molecular weight of 383.46 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)spiro[1,2-dihydroindene-3,2'-morpholine] is sourced from PubChem (CID 133413447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).