dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate

C15H8K2N4O5 — CID 59461074

IUPACdipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate
SMILESO=C([O-])c1ccccc1C(=O)Nc1c[nH]c2c(C(=O)[O-])ncnc12.[K+].[K+]
InChIInChI=1S/C15H10N4O5.2K/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);;/q;2*+1/p-2
InChIKeyHGEYMSYFGPKMJJ-UHFFFAOYSA-L
MW402.45 g/mol
LogP-7.05
Rot. Bonds4

About dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate

dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate (PubChem CID 59461074) has the molecular formula C15H8K2N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namedipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate
PubChem CID59461074
Molecular FormulaC15H8K2N4O5
Molecular Weight402.45 g/mol
Exact Mass401.98
IUPAC Namedipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate
SMILESO=C([O-])c1ccccc1C(=O)Nc1c[nH]c2c(C(=O)[O-])ncnc12.[K+].[K+]
InChIInChI=1S/C15H10N4O5.2K/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);;/q;2*+1/p-2
InChIKeyHGEYMSYFGPKMJJ-UHFFFAOYSA-L
XLogP-7.05
TPSA150.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 5-7.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate 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

methyl 4-phenyl-1H-imidazo[4,5-c]pyridine-6-carboxylate
CID 44368836
4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 52936351
1H-Indole-2-carboxylic acid, 3-(2-oxo-2-((2-(4-(2-pyrimidinyl)-1-piperazinyl)ethyl)amino)ethyl)-
CID 3075497
4-[(4-fluorophenyl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 59802018
methyl 4-[(4-fluorophenyl)methylcarbamoyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 59802101
methyl 4-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 143679895
4,5-difluoro-2-(3H-imidazo[4,5-c]pyridine-6-carbonylamino)benzoic acid
CID 156111606
methyl 4,5-difluoro-2-(3H-imidazo[4,5-c]pyridine-6-carbonylamino)benzoate
CID 156111664
4-(Pyridin-3-yl)-3h-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76848053
4-(Pyridin-4-yl)-3h-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 129751494
5-(6-Carboxy-3h-imidazo[4,5-c]pyridin-4-yl)-1,2,3,6-tetrahydropyridinium chloride
CID 164576960
4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76848054

Frequently Asked Questions

What is the IUPAC name of dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate?
The IUPAC name of dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate (CID 59461074) is dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate.
What is the SMILES notation for dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate?
The canonical SMILES for dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate is O=C([O-])c1ccccc1C(=O)Nc1c[nH]c2c(C(=O)[O-])ncnc12.[K+].[K+].
What is the InChIKey of dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate?
The InChIKey is HGEYMSYFGPKMJJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H10N4O5.2K/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);;/q;2*+1/p-2.
What are the key properties of dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate?
dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate has a molecular weight of 402.45 g/mol, XLogP of -7.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;7-[(2-carboxylatobenzoyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 59461074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).