4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide

C25H26N6O3 — CID 91081447

IUPAC4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(O)N5CC(O)C5)cc4)nc23)cc1
InChIInChI=1S/C25H26N6O3/c1-29(2)23(33)17-7-5-16(6-8-17)21-4-3-13-31-22(21)27-25(28-31)26-19-11-9-18(10-12-19)24(34)30-14-20(32)15-30/h3-13,20,24,32,34H,14-15H2,1-2H3,(H,26,28)
InChIKeyNXAMBDGKKWKTMY-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.51
Rot. Bonds6

About 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide

4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide (PubChem CID 91081447) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
PubChem CID91081447
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(O)N5CC(O)C5)cc4)nc23)cc1
InChIInChI=1S/C25H26N6O3/c1-29(2)23(33)17-7-5-16(6-8-17)21-4-3-13-31-22(21)27-25(28-31)26-19-11-9-18(10-12-19)24(34)30-14-20(32)15-30/h3-13,20,24,32,34H,14-15H2,1-2H3,(H,26,28)
InChIKeyNXAMBDGKKWKTMY-UHFFFAOYSA-N
XLogP2.51
TPSA106.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide 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

4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide
CID 70929362
N,N-dimethyl-4-[2-(1H-pyrazol-4-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 90778412
N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethylcarbamoyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929378
N,N-dimethyl-4-[2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929598
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
2-hydroxy-1-[4-[[8-(4-methylsulfinylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 70659865
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-propan-2-ylbenzamide
CID 44623348
N,N-dimethyl-4-[2-[[1-oxo-2-(pyridin-2-ylmethyl)-3H-isoindol-5-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 70929612
4-[[8-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 91388480
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 59198981
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199040
N-heptan-4-yl-N-methyl-4-[[8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 138702418

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide (CID 91081447) is 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(O)N5CC(O)C5)cc4)nc23)cc1.
What is the InChIKey of 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide?
The InChIKey is NXAMBDGKKWKTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-29(2)23(33)17-7-5-16(6-8-17)21-4-3-13-31-22(21)27-25(28-31)26-19-11-9-18(10-12-19)24(34)30-14-20(32)15-30/h3-13,20,24,32,34H,14-15H2,1-2H3,(H,26,28).
What are the key properties of 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide?
4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide has a molecular weight of 458.52 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[hydroxy-(3-hydroxyazetidin-1-yl)methyl]anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 91081447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).