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

C22H19N5O — CID 40708386

IUPACN-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H19N5O/c28-22(25-17-6-7-17)18-12-20(16-4-2-1-3-5-16)26-21-19(18)13-24-27(21)14-15-8-10-23-11-9-15/h1-5,8-13,17H,6-7,14H2,(H,25,28)
InChIKeyWOXFZHLASYTQCE-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.43
Rot. Bonds5

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

N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 40708386) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID40708386
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H19N5O/c28-22(25-17-6-7-17)18-12-20(16-4-2-1-3-5-16)26-21-19(18)13-24-27(21)14-15-8-10-23-11-9-15/h1-5,8-13,17H,6-7,14H2,(H,25,28)
InChIKeyWOXFZHLASYTQCE-UHFFFAOYSA-N
XLogP3.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 40708386) is N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NC1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WOXFZHLASYTQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-22(25-17-6-7-17)18-12-20(16-4-2-1-3-5-16)26-21-19(18)13-24-27(21)14-15-8-10-23-11-9-15/h1-5,8-13,17H,6-7,14H2,(H,25,28).
What are the key properties of N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 40708386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).