1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone

C22H22N6O2 — CID 70659873

IUPAC1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Nc2nc3c(-c4cnn(C5CCCC5)c4)cccn3n2)cc1
InChIInChI=1S/C22H22N6O2/c29-14-20(30)15-7-9-17(10-8-15)24-22-25-21-19(6-3-11-27(21)26-22)16-12-23-28(13-16)18-4-1-2-5-18/h3,6-13,18,29H,1-2,4-5,14H2,(H,24,26)
InChIKeyKEUSMDRXBAITJR-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.63
Rot. Bonds6

About 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone

1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone (PubChem CID 70659873) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone
PubChem CID70659873
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(Nc2nc3c(-c4cnn(C5CCCC5)c4)cccn3n2)cc1
InChIInChI=1S/C22H22N6O2/c29-14-20(30)15-7-9-17(10-8-15)24-22-25-21-19(6-3-11-27(21)26-22)16-12-23-28(13-16)18-4-1-2-5-18/h3,6-13,18,29H,1-2,4-5,14H2,(H,24,26)
InChIKeyKEUSMDRXBAITJR-UHFFFAOYSA-N
XLogP3.63
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone 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 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone (CID 70659873) is 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone is O=C(CO)c1ccc(Nc2nc3c(-c4cnn(C5CCCC5)c4)cccn3n2)cc1.
What is the InChIKey of 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone?
The InChIKey is KEUSMDRXBAITJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-14-20(30)15-7-9-17(10-8-15)24-22-25-21-19(6-3-11-27(21)26-22)16-12-23-28(13-16)18-4-1-2-5-18/h3,6-13,18,29H,1-2,4-5,14H2,(H,24,26).
What are the key properties of 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone?
1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone has a molecular weight of 402.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 70659873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).