2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid

C18H18ClN7O2 — CID 174213291

IUPAC2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid
SMILESCc1nc2n(n1)-c1cccc(Nc3cc(Cl)nc(N)c3C(=O)O)c1N(C)C2C
InChIInChI=1S/C18H18ClN7O2/c1-8-17-21-9(2)24-26(17)12-6-4-5-10(15(12)25(8)3)22-11-7-13(19)23-16(20)14(11)18(27)28/h4-8H,1-3H3,(H,27,28)(H3,20,22,23)
InChIKeyFPRGAVZGZJXZRO-UHFFFAOYSA-N
MW399.84 g/mol
LogP3.16
Rot. Bonds3

About 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid

2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid (PubChem CID 174213291) has the molecular formula C18H18ClN7O2 and a molecular weight of 399.84 g/mol. Its IUPAC name is 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid
PubChem CID174213291
Molecular FormulaC18H18ClN7O2
Molecular Weight399.84 g/mol
Exact Mass399.12
IUPAC Name2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid
SMILESCc1nc2n(n1)-c1cccc(Nc3cc(Cl)nc(N)c3C(=O)O)c1N(C)C2C
InChIInChI=1S/C18H18ClN7O2/c1-8-17-21-9(2)24-26(17)12-6-4-5-10(15(12)25(8)3)22-11-7-13(19)23-16(20)14(11)18(27)28/h4-8H,1-3H3,(H,27,28)(H3,20,22,23)
InChIKeyFPRGAVZGZJXZRO-UHFFFAOYSA-N
XLogP3.16
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid 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 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid (CID 174213291) is 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid is Cc1nc2n(n1)-c1cccc(Nc3cc(Cl)nc(N)c3C(=O)O)c1N(C)C2C.
What is the InChIKey of 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is FPRGAVZGZJXZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O2/c1-8-17-21-9(2)24-26(17)12-6-4-5-10(15(12)25(8)3)22-11-7-13(19)23-16(20)14(11)18(27)28/h4-8H,1-3H3,(H,27,28)(H3,20,22,23).
What are the key properties of 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid?
2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 399.84 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 174213291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).