1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

C23H21ClN6O3 — CID 54769557

IUPAC1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cn1
InChIInChI=1S/C23H21ClN6O3/c24-19-6-5-17(31)12-18(19)15-3-7-20-27-23(28-30(20)14-15)26-16-4-8-21(25-13-16)33-11-10-29-9-1-2-22(29)32/h3-8,12-14,31H,1-2,9-11H2,(H,26,28)
InChIKeyBHLPETSYJGPMGZ-UHFFFAOYSA-N
MW464.91 g/mol
LogP3.90
Rot. Bonds7

About 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 54769557) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
PubChem CID54769557
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC Name1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCOc1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cn1
InChIInChI=1S/C23H21ClN6O3/c24-19-6-5-17(31)12-18(19)15-3-7-20-27-23(28-30(20)14-15)26-16-4-8-21(25-13-16)33-11-10-29-9-1-2-22(29)32/h3-8,12-14,31H,1-2,9-11H2,(H,26,28)
InChIKeyBHLPETSYJGPMGZ-UHFFFAOYSA-N
XLogP3.90
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (CID 54769557) is 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is O=C1CCCN1CCOc1ccc(Nc2nc3ccc(-c4cc(O)ccc4Cl)cn3n2)cn1.
What is the InChIKey of 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is BHLPETSYJGPMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c24-19-6-5-17(31)12-18(19)15-3-7-20-27-23(28-30(20)14-15)26-16-4-8-21(25-13-16)33-11-10-29-9-1-2-22(29)32/h3-8,12-14,31H,1-2,9-11H2,(H,26,28).
What are the key properties of 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 464.91 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-[[6-(2-chloro-5-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 54769557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).