6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C14H9N5O2 — CID 70759171

IUPAC6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(-c3ccnc4[nH]ccc34)cn2n1
InChIInChI=1S/C14H9N5O2/c20-14(21)11-5-12-17-6-8(7-19(12)18-11)9-1-3-15-13-10(9)2-4-16-13/h1-7H,(H,15,16)(H,20,21)
InChIKeyCKXRWIAKSBBHKQ-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.97
Rot. Bonds2

About 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 70759171) has the molecular formula C14H9N5O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID70759171
Molecular FormulaC14H9N5O2
Molecular Weight279.26 g/mol
Exact Mass279.08
IUPAC Name6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2ncc(-c3ccnc4[nH]ccc34)cn2n1
InChIInChI=1S/C14H9N5O2/c20-14(21)11-5-12-17-6-8(7-19(12)18-11)9-1-3-15-13-10(9)2-4-16-13/h1-7H,(H,15,16)(H,20,21)
InChIKeyCKXRWIAKSBBHKQ-UHFFFAOYSA-N
XLogP1.97
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 70759171) is 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2ncc(-c3ccnc4[nH]ccc34)cn2n1.
What is the InChIKey of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is CKXRWIAKSBBHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O2/c20-14(21)11-5-12-17-6-8(7-19(12)18-11)9-1-3-15-13-10(9)2-4-16-13/h1-7H,(H,15,16)(H,20,21).
What are the key properties of 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 70759171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).