3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid

C14H11ClN4O2 — CID 75202257

IUPAC3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid
SMILESCn1nc(Nc2cnccc2C(=O)O)c2cc(Cl)ccc21
InChIInChI=1S/C14H11ClN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
InChIKeyTXMBUJQSVXBAFZ-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.06
Rot. Bonds3

About 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid

3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 75202257) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID75202257
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid
SMILESCn1nc(Nc2cnccc2C(=O)O)c2cc(Cl)ccc21
InChIInChI=1S/C14H11ClN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21)
InChIKeyTXMBUJQSVXBAFZ-UHFFFAOYSA-N
XLogP3.06
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-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

Related Compounds

3-[(1-Cyclopentyl-5-fluoroindazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282772
3-({1-[2-(4,4-Difluoropiperidin-1-Yl)ethyl]-5-Fluoro-1h-Indazol-3-Yl}amino)pyridine-4-Carboxylic Acid
CID 90216621
US10040779, Example 1
CID 76282043
5-chloro-2-(3-methyl-4-(quinoxalin-6-yl)-1-o-tolyl-1H-pyrazol-5-ylamino)benzoic acid
CID 46175652
3-[(1-Methylpyrazolo[5,4-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
CID 90225370
3-[(5-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282049
3-[(4-fluoro-1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282291
3-[(5-trifluoromethyl-1-methyl-1H-indazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282292
US10040779, Example 15
CID 76282293
US10040779, Example 16
CID 76282524
US10040779, Example 17
CID 76282525
US10040779, Example 18
CID 76282526

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid (CID 75202257) is 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid is Cn1nc(Nc2cnccc2C(=O)O)c2cc(Cl)ccc21.
What is the InChIKey of 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is TXMBUJQSVXBAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-19-12-3-2-8(15)6-10(12)13(18-19)17-11-7-16-5-4-9(11)14(20)21/h2-7H,1H3,(H,17,18)(H,20,21).
What are the key properties of 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid?
3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methylindazol-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 75202257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).