N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine

C30H26Br2N10O3 — CID 159448050

About N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine

N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 159448050) has the molecular formula C30H26Br2N10O3 and a molecular weight of 734.41 g/mol. Its IUPAC name is N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 159448050
• Molecular Formula: C30H26Br2N10O3
• Molecular Weight: 734.41 g/mol
• Exact Mass: 732.06
• IUPAC Name: N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: COCc1cccc(NC(=O)c2[nH]nc3ncc(Br)cc23)c1N.COCc1cccc2[nH]c(-c3[nH]nc4ncc(Br)cc34)nc12
• InChI: InChI=1S/C15H14BrN5O2.C15H12BrN5O/c1-23-7-8-3-2-4-11(12(8)17)19-15(22)13-10-5-9(16)6-18-14(10)21-20-13;1-22-7-8-3-2-4-11-12(8)19-15(18-11)13-10-5-9(16)6-17-14(10)21-20-13/h2-6H,7,17H2,1H3,(H,19,22)(H,18,20,21);2-6H,7H2,1H3,(H,18,19)(H,17,20,21)
• InChIKey: LSZXYAMOVSSPIO-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 185.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.41
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine (CID 159448050) is N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is COCc1cccc(NC(=O)c2[nH]nc3ncc(Br)cc23)c1N.COCc1cccc2[nH]c(-c3[nH]nc4ncc(Br)cc34)nc12.

What is the InChIKey of N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is LSZXYAMOVSSPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O2.C15H12BrN5O/c1-23-7-8-3-2-4-11(12(8)17)19-15(22)13-10-5-9(16)6-18-14(10)21-20-13;1-22-7-8-3-2-4-11-12(8)19-15(18-11)13-10-5-9(16)6-17-14(10)21-20-13/h2-6H,7,17H2,1H3,(H,19,22)(H,18,20,21);2-6H,7H2,1H3,(H,18,19)(H,17,20,21).

What are the key properties of N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine?

N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 734.41 g/mol, XLogP of 6.11, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide;5-bromo-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 159448050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).