N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H27N5OS — CID 35745108

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

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 35745108) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 35745108
• Molecular Formula: C24H27N5OS
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.19
• IUPAC Name: N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C24H27N5OS/c1-16(2)29-23-20(14-25-29)19(13-21(26-23)22-7-6-12-31-22)24(30)28(5)15-17-8-10-18(11-9-17)27(3)4/h6-14,16H,15H2,1-5H3
• InChIKey: KABFCSSZALUDOU-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 35745108) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc(-c3cccs3)nc21.

What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is KABFCSSZALUDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-16(2)29-23-20(14-25-29)19(13-21(26-23)22-7-6-12-31-22)24(30)28(5)15-17-8-10-18(11-9-17)27(3)4/h6-14,16H,15H2,1-5H3.

What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35745108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).