1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C22H15N5O2 — CID 71601060

IUPAC1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3cccnc23)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H15N5O2/c28-22(29)17-11-19(16-5-1-3-15-4-2-8-24-20(15)16)26-21-18(17)12-25-27(21)13-14-6-9-23-10-7-14/h1-12H,13H2,(H,28,29)
InChIKeyRRBMVIRUAQRCOH-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.79
Rot. Bonds4

About 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid

1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 71601060) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID71601060
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3cccnc23)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H15N5O2/c28-22(29)17-11-19(16-5-1-3-15-4-2-8-24-20(15)16)26-21-18(17)12-25-27(21)13-14-6-9-23-10-7-14/h1-12H,13H2,(H,28,29)
InChIKeyRRBMVIRUAQRCOH-UHFFFAOYSA-N
XLogP3.79
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 71601060) is 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cccc3cccnc23)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is RRBMVIRUAQRCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c28-22(29)17-11-19(16-5-1-3-15-4-2-8-24-20(15)16)26-21-18(17)12-25-27(21)13-14-6-9-23-10-7-14/h1-12H,13H2,(H,28,29).
What are the key properties of 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 381.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-6-quinolin-8-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 71601060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).