2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone

C22H22N6O3 — CID 70659936

IUPAC2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
SMILESO=C(CO)c1ccc(Nc2nc3c(-c4cnn(CC5CCOC5)c4)cccn3n2)cc1
InChIInChI=1S/C22H22N6O3/c29-13-20(30)16-3-5-18(6-4-16)24-22-25-21-19(2-1-8-28(21)26-22)17-10-23-27(12-17)11-15-7-9-31-14-15/h1-6,8,10,12,15,29H,7,9,11,13-14H2,(H,24,26)
InChIKeyMWUKMTQCDNJFDQ-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.55
Rot. Bonds7

About 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone

2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone (PubChem CID 70659936) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
PubChem CID70659936
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
SMILESO=C(CO)c1ccc(Nc2nc3c(-c4cnn(CC5CCOC5)c4)cccn3n2)cc1
InChIInChI=1S/C22H22N6O3/c29-13-20(30)16-3-5-18(6-4-16)24-22-25-21-19(2-1-8-28(21)26-22)17-10-23-27(12-17)11-15-7-9-31-14-15/h1-6,8,10,12,15,29H,7,9,11,13-14H2,(H,24,26)
InChIKeyMWUKMTQCDNJFDQ-UHFFFAOYSA-N
XLogP2.55
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[8-(1-cyclopentylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-2-hydroxyethanone
CID 70659873
8-(4-methoxyphenyl)-N-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199089
N-cyclopropyl-4-[[8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929460
2-hydroxy-1-[4-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659865
N-(2-hydroxyethyl)-4-[2-[4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929450
N-cyclopropyl-4-[[8-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929524
N-cyclopropyl-4-[[8-[6-(hydroxymethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929643
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 59198981
N-cyclopropyl-4-[[8-[4-(2-morpholin-4-ylpropan-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929446
N-cyclopropyl-4-[[8-[4-(1-morpholin-4-ylcyclopropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929475
N-cyclopropyl-4-[[8-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 70929692
4-[[8-[3-(hydroxymethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199047

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone (CID 70659936) is 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone is O=C(CO)c1ccc(Nc2nc3c(-c4cnn(CC5CCOC5)c4)cccn3n2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone?
The InChIKey is MWUKMTQCDNJFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c29-13-20(30)16-3-5-18(6-4-16)24-22-25-21-19(2-1-8-28(21)26-22)17-10-23-27(12-17)11-15-7-9-31-14-15/h1-6,8,10,12,15,29H,7,9,11,13-14H2,(H,24,26).
What are the key properties of 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone?
2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone has a molecular weight of 418.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[8-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 70659936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).