N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H23N5O2 — CID 9120241

IUPACN-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1
InChIInChI=1S/C24H23N5O2/c1-15(2)29-22-20(14-26-29)19(13-21(28-22)16-8-5-4-6-9-16)24(31)27-18-11-7-10-17(12-18)23(30)25-3/h4-15H,1-3H3,(H,25,30)(H,27,31)
InChIKeyVITLGFXLWGGVCS-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.29
Rot. Bonds5

About N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 9120241) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID9120241
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1
InChIInChI=1S/C24H23N5O2/c1-15(2)29-22-20(14-26-29)19(13-21(28-22)16-8-5-4-6-9-16)24(31)27-18-11-7-10-17(12-18)23(30)25-3/h4-15H,1-3H3,(H,25,30)(H,27,31)
InChIKeyVITLGFXLWGGVCS-UHFFFAOYSA-N
XLogP4.29
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 9120241) is N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VITLGFXLWGGVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15(2)29-22-20(14-26-29)19(13-21(28-22)16-8-5-4-6-9-16)24(31)27-18-11-7-10-17(12-18)23(30)25-3/h4-15H,1-3H3,(H,25,30)(H,27,31).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 9120241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).