N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C25H29N5O2S — CID 55554757

About N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55554757) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 55554757
• Molecular Formula: C25H29N5O2S
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.20
• IUPAC Name: N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: CCN(CC)CCOc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1
• InChI: InChI=1S/C25H29N5O2S/c1-4-29(5-2)12-13-32-20-10-8-19(9-11-20)28-25(31)22-15-18(3)27-24-23(22)16-26-30(24)17-21-7-6-14-33-21/h6-11,14-16H,4-5,12-13,17H2,1-3H3,(H,28,31)
• InChIKey: RMLAIPGSDMLKRB-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55554757) is N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is CCN(CC)CCOc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1.

What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is RMLAIPGSDMLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-4-29(5-2)12-13-32-20-10-8-19(9-11-20)28-25(31)22-15-18(3)27-24-23(22)16-26-30(24)17-21-7-6-14-33-21/h6-11,14-16H,4-5,12-13,17H2,1-3H3,(H,28,31).

What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?

N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55554757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).