6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H21N5O — CID 71602078

IUPAC6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H21N5O/c1-2-10-24-22(28)18-13-20(17-6-4-3-5-7-17)26-21-19(18)14-25-27(21)15-16-8-11-23-12-9-16/h3-9,11-14H,2,10,15H2,1H3,(H,24,28)
InChIKeyPHTMSELGERPXQU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.68
Rot. Bonds6

About 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 71602078) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID71602078
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H21N5O/c1-2-10-24-22(28)18-13-20(17-6-4-3-5-7-17)26-21-19(18)14-25-27(21)15-16-8-11-23-12-9-16/h3-9,11-14H,2,10,15H2,1H3,(H,24,28)
InChIKeyPHTMSELGERPXQU-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 71602078) is 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PHTMSELGERPXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-10-24-22(28)18-13-20(17-6-4-3-5-7-17)26-21-19(18)14-25-27(21)15-16-8-11-23-12-9-16/h3-9,11-14H,2,10,15H2,1H3,(H,24,28).
What are the key properties of 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-propyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71602078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).