2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid

C26H23N5O5 — CID 67976926

IUPAC2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4Cc3ccccc3C(=O)O)cnc2c1
InChIInChI=1S/C26H23N5O5/c1-35-11-12-36-18-9-10-30-23(15-27-24(30)13-18)25(32)29-21-7-4-8-22-20(21)14-28-31(22)16-17-5-2-3-6-19(17)26(33)34/h2-10,13-15H,11-12,16H2,1H3,(H,29,32)(H,33,34)
InChIKeyAETDUDZUZOHFHD-UHFFFAOYSA-N
MW485.50 g/mol
LogP3.71
Rot. Bonds9

About 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid

2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid (PubChem CID 67976926) has the molecular formula C26H23N5O5 and a molecular weight of 485.50 g/mol. Its IUPAC name is 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid
PubChem CID67976926
Molecular FormulaC26H23N5O5
Molecular Weight485.50 g/mol
Exact Mass485.17
IUPAC Name2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4Cc3ccccc3C(=O)O)cnc2c1
InChIInChI=1S/C26H23N5O5/c1-35-11-12-36-18-9-10-30-23(15-27-24(30)13-18)25(32)29-21-7-4-8-22-20(21)14-28-31(22)16-17-5-2-3-6-19(17)26(33)34/h2-10,13-15H,11-12,16H2,1H3,(H,29,32)(H,33,34)
InChIKeyAETDUDZUZOHFHD-UHFFFAOYSA-N
XLogP3.71
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid?
The IUPAC name of 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid (CID 67976926) is 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid.
What is the SMILES notation for 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid?
The canonical SMILES for 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid is COCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4Cc3ccccc3C(=O)O)cnc2c1.
What is the InChIKey of 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid?
The InChIKey is AETDUDZUZOHFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5/c1-35-11-12-36-18-9-10-30-23(15-27-24(30)13-18)25(32)29-21-7-4-8-22-20(21)14-28-31(22)16-17-5-2-3-6-19(17)26(33)34/h2-10,13-15H,11-12,16H2,1H3,(H,29,32)(H,33,34).
What are the key properties of 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid?
2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid has a molecular weight of 485.50 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]benzoic acid is sourced from PubChem (CID 67976926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).