1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C26H26N6O3 — CID 24622914

About 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24622914) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 24622914
• Molecular Formula: C26H26N6O3
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.21
• IUPAC Name: 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1
• InChI: InChI=1S/C26H26N6O3/c33-24(18-31-10-12-35-13-11-31)29-22-6-8-23(9-7-22)30-26(34)21-14-20-16-28-32(25(20)27-15-21)17-19-4-2-1-3-5-19/h1-9,14-16H,10-13,17-18H2,(H,29,33)(H,30,34)
• InChIKey: NFEYHCRXDWKRQD-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 24622914) is 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1.

What is the InChIKey of 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is NFEYHCRXDWKRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c33-24(18-31-10-12-35-13-11-31)29-22-6-8-23(9-7-22)30-26(34)21-14-20-16-28-32(25(20)27-15-21)17-19-4-2-1-3-5-19/h1-9,14-16H,10-13,17-18H2,(H,29,33)(H,30,34).

What are the key properties of 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24622914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).