7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

C15H10N4O5 — CID 59461075

IUPAC7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1c[nH]c2c(C(=O)O)ncnc12
InChIInChI=1S/C15H10N4O5/c20-13(7-3-1-2-4-8(7)14(21)22)19-9-5-16-11-10(9)17-6-18-12(11)15(23)24/h1-6,16H,(H,19,20)(H,21,22)(H,23,24)
InChIKeyPFKCIBRMVVZPST-UHFFFAOYSA-N
MW326.27 g/mol
LogP1.61
Rot. Bonds4

About 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 59461075) has the molecular formula C15H10N4O5 and a molecular weight of 326.27 g/mol. Its IUPAC name is 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
PubChem CID59461075
Molecular FormulaC15H10N4O5
Molecular Weight326.27 g/mol
Exact Mass326.07
IUPAC Name7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1c[nH]c2c(C(=O)O)ncnc12
InChIInChI=1S/C15H10N4O5/c20-13(7-3-1-2-4-8(7)14(21)22)19-9-5-16-11-10(9)17-6-18-12(11)15(23)24/h1-6,16H,(H,19,20)(H,21,22)(H,23,24)
InChIKeyPFKCIBRMVVZPST-UHFFFAOYSA-N
XLogP1.61
TPSA145.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid (CID 59461075) is 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid is O=C(O)c1ccccc1C(=O)Nc1c[nH]c2c(C(=O)O)ncnc12.
What is the InChIKey of 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
The InChIKey is PFKCIBRMVVZPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O5/c20-13(7-3-1-2-4-8(7)14(21)22)19-9-5-16-11-10(9)17-6-18-12(11)15(23)24/h1-6,16H,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid?
7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid has a molecular weight of 326.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-carboxybenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 59461075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).