6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

C16H10N4O4 — CID 46184324

IUPAC6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2cnc[nH]2)n1
InChIInChI=1S/C16H10N4O4/c21-7-1-2-10-8(3-7)9-4-11(16(23)24)20-14(13(9)19-10)15(22)12-5-17-6-18-12/h1-6,19,21H,(H,17,18)(H,23,24)
InChIKeyLOTMSHGHGRCVGP-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.07
Rot. Bonds3

About 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 46184324) has the molecular formula C16H10N4O4 and a molecular weight of 322.28 g/mol. Its IUPAC name is 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID46184324
Molecular FormulaC16H10N4O4
Molecular Weight322.28 g/mol
Exact Mass322.07
IUPAC Name6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESO=C(O)c1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2cnc[nH]2)n1
InChIInChI=1S/C16H10N4O4/c21-7-1-2-10-8(3-7)9-4-11(16(23)24)20-14(13(9)19-10)15(22)12-5-17-6-18-12/h1-6,19,21H,(H,17,18)(H,23,24)
InChIKeyLOTMSHGHGRCVGP-UHFFFAOYSA-N
XLogP2.07
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 46184324) is 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is O=C(O)c1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2cnc[nH]2)n1.
What is the InChIKey of 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is LOTMSHGHGRCVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O4/c21-7-1-2-10-8(3-7)9-4-11(16(23)24)20-14(13(9)19-10)15(22)12-5-17-6-18-12/h1-6,19,21H,(H,17,18)(H,23,24).
What are the key properties of 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 322.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(1H-imidazole-5-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 46184324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).