N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide

C23H24ClN5O3 — CID 137142936

IUPACN-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide
SMILESO=CNc1ccc(OCCN2CCn3c(nnc3-c3cc(Cl)ccc3O)C2)c2c1CCC2
InChIInChI=1S/C23H24ClN5O3/c24-15-4-6-20(31)18(12-15)23-27-26-22-13-28(8-9-29(22)23)10-11-32-21-7-5-19(25-14-30)16-2-1-3-17(16)21/h4-7,12,14,31H,1-3,8-11,13H2,(H,25,30)
InChIKeyCTZUVSOUALNLJL-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.26
Rot. Bonds7

About N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide

N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide (PubChem CID 137142936) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide.

Molecular Properties

Compound NameN-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide
PubChem CID137142936
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC NameN-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide
SMILESO=CNc1ccc(OCCN2CCn3c(nnc3-c3cc(Cl)ccc3O)C2)c2c1CCC2
InChIInChI=1S/C23H24ClN5O3/c24-15-4-6-20(31)18(12-15)23-27-26-22-13-28(8-9-29(22)23)10-11-32-21-7-5-19(25-14-30)16-2-1-3-17(16)21/h4-7,12,14,31H,1-3,8-11,13H2,(H,25,30)
InChIKeyCTZUVSOUALNLJL-UHFFFAOYSA-N
XLogP3.26
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide?
The IUPAC name of N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide (CID 137142936) is N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide.
What is the SMILES notation for N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide?
The canonical SMILES for N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide is O=CNc1ccc(OCCN2CCn3c(nnc3-c3cc(Cl)ccc3O)C2)c2c1CCC2.
What is the InChIKey of N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide?
The InChIKey is CTZUVSOUALNLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c24-15-4-6-20(31)18(12-15)23-27-26-22-13-28(8-9-29(22)23)10-11-32-21-7-5-19(25-14-30)16-2-1-3-17(16)21/h4-7,12,14,31H,1-3,8-11,13H2,(H,25,30).
What are the key properties of N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide?
N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide has a molecular weight of 453.93 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-[3-(5-chloro-2-hydroxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]-2,3-dihydro-1H-inden-4-yl]formamide is sourced from PubChem (CID 137142936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).