N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H20N6O — CID 27649516

IUPACN-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3nc4ccccc4[nH]3)cc(-c3ccccc3)nc21
InChIInChI=1S/C23H20N6O/c1-14(2)29-21-17(13-24-29)16(12-20(25-21)15-8-4-3-5-9-15)22(30)28-23-26-18-10-6-7-11-19(18)27-23/h3-14H,1-2H3,(H2,26,27,28,30)
InChIKeyVGNNUSSQLFGFQD-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.81
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 27649516) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID27649516
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)n1ncc2c(C(=O)Nc3nc4ccccc4[nH]3)cc(-c3ccccc3)nc21
InChIInChI=1S/C23H20N6O/c1-14(2)29-21-17(13-24-29)16(12-20(25-21)15-8-4-3-5-9-15)22(30)28-23-26-18-10-6-7-11-19(18)27-23/h3-14H,1-2H3,(H2,26,27,28,30)
InChIKeyVGNNUSSQLFGFQD-UHFFFAOYSA-N
XLogP4.81
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 27649516) is N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)Nc3nc4ccccc4[nH]3)cc(-c3ccccc3)nc21.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VGNNUSSQLFGFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-14(2)29-21-17(13-24-29)16(12-20(25-21)15-8-4-3-5-9-15)22(30)28-23-26-18-10-6-7-11-19(18)27-23/h3-14H,1-2H3,(H2,26,27,28,30).
What are the key properties of N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 27649516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).