N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C23H21N5O3 — CID 44623824

IUPACN-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCOc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)c(O)c4)nc23)cc1
InChIInChI=1S/C23H21N5O3/c1-31-17-9-4-14(5-10-17)18-3-2-12-28-21(18)26-23(27-28)25-16-8-11-19(20(29)13-16)22(30)24-15-6-7-15/h2-5,8-13,15,29H,6-7H2,1H3,(H,24,30)(H,25,27)
InChIKeyXGNNCLAMWGRBCM-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.75
Rot. Bonds6

About N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 44623824) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID44623824
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCOc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)c(O)c4)nc23)cc1
InChIInChI=1S/C23H21N5O3/c1-31-17-9-4-14(5-10-17)18-3-2-12-28-21(18)26-23(27-28)25-16-8-11-19(20(29)13-16)22(30)24-15-6-7-15/h2-5,8-13,15,29H,6-7H2,1H3,(H,24,30)(H,25,27)
InChIKeyXGNNCLAMWGRBCM-UHFFFAOYSA-N
XLogP3.75
TPSA100.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide 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 N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 44623824) is N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)c(O)c4)nc23)cc1.
What is the InChIKey of N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is XGNNCLAMWGRBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-31-17-9-4-14(5-10-17)18-3-2-12-28-21(18)26-23(27-28)25-16-8-11-19(20(29)13-16)22(30)24-15-6-7-15/h2-5,8-13,15,29H,6-7H2,1H3,(H,24,30)(H,25,27).
What are the key properties of N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 415.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydroxy-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 44623824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).