5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H26N6O2 — CID 155955431

About 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 155955431) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 155955431
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CN1CCN(CCOc2ccc(NC(=O)c3cnn4ccc(N)cc34)cc2)CC1
• InChI: InChI=1S/C21H26N6O2/c1-25-8-10-26(11-9-25)12-13-29-18-4-2-17(3-5-18)24-21(28)19-15-23-27-7-6-16(22)14-20(19)27/h2-7,14-15H,8-13,22H2,1H3,(H,24,28)
• InChIKey: WDZVKCGKQVFPTI-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 88.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 155955431) is 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CN1CCN(CCOc2ccc(NC(=O)c3cnn4ccc(N)cc34)cc2)CC1.

What is the InChIKey of 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is WDZVKCGKQVFPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-25-8-10-26(11-9-25)12-13-29-18-4-2-17(3-5-18)24-21(28)19-15-23-27-7-6-16(22)14-20(19)27/h2-7,14-15H,8-13,22H2,1H3,(H,24,28).

What are the key properties of 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155955431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).