6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C22H21N5O — CID 17458167

IUPAC6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H21N5O/c1-15(2)25-22(28)18-12-20(17-6-4-3-5-7-17)26-21-19(18)13-24-27(21)14-16-8-10-23-11-9-16/h3-13,15H,14H2,1-2H3,(H,25,28)
InChIKeyVHBRSEPNNTWDIP-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.68
Rot. Bonds5

About 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17458167) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID17458167
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C22H21N5O/c1-15(2)25-22(28)18-12-20(17-6-4-3-5-7-17)26-21-19(18)13-24-27(21)14-16-8-10-23-11-9-16/h3-13,15H,14H2,1-2H3,(H,25,28)
InChIKeyVHBRSEPNNTWDIP-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 17458167) is 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VHBRSEPNNTWDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15(2)25-22(28)18-12-20(17-6-4-3-5-7-17)26-21-19(18)13-24-27(21)14-16-8-10-23-11-9-16/h3-13,15H,14H2,1-2H3,(H,25,28).
What are the key properties of 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-propan-2-yl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17458167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).