5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C15H10N4O2 — CID 167864996

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3cnc4[nH]ccc4c3)ccc2[nH]1
InChIInChI=1S/C15H10N4O2/c20-15(21)13-6-12-11(19-13)2-1-10(18-12)9-5-8-3-4-16-14(8)17-7-9/h1-7,19H,(H,16,17)(H,20,21)
InChIKeyVAXQKQCMWPYSBE-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.80
Rot. Bonds2

About 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 167864996) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID167864996
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3cnc4[nH]ccc4c3)ccc2[nH]1
InChIInChI=1S/C15H10N4O2/c20-15(21)13-6-12-11(19-13)2-1-10(18-12)9-5-8-3-4-16-14(8)17-7-9/h1-7,19H,(H,16,17)(H,20,21)
InChIKeyVAXQKQCMWPYSBE-UHFFFAOYSA-N
XLogP2.80
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 167864996) is 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2nc(-c3cnc4[nH]ccc4c3)ccc2[nH]1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is VAXQKQCMWPYSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-15(21)13-6-12-11(19-13)2-1-10(18-12)9-5-8-3-4-16-14(8)17-7-9/h1-7,19H,(H,16,17)(H,20,21).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 167864996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).