N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine

C32H34Br2N10O5 — CID 159060684

About N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine

N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine (PubChem CID 159060684) has the molecular formula C32H34Br2N10O5 and a molecular weight of 798.50 g/mol. Its IUPAC name is N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine.

Molecular Properties

• Compound Name: N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine
• PubChem CID: 159060684
• Molecular Formula: C32H34Br2N10O5
• Molecular Weight: 798.50 g/mol
• Exact Mass: 796.11
• IUPAC Name: N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine
• SMILES: COCc1cccc(N)c1N.COCc1cccc(NC(=O)c2nn(C)c3ncc(Br)cc23)c1N.Cn1nc(C(=O)O)c2cc(Br)cnc21
• InChI: InChI=1S/C16H16BrN5O2.C8H6BrN3O2.C8H12N2O/c1-22-15-11(6-10(17)7-19-15)14(21-22)16(23)20-12-5-3-4-9(8-24-2)13(12)18;1-12-7-5(2-4(9)3-10-7)6(11-12)8(13)14;1-11-5-6-3-2-4-7(9)8(6)10/h3-7H,8,18H2,1-2H3,(H,20,23);2-3H,1H3,(H,13,14);2-4H,5,9-10H2,1H3
• InChIKey: JYKSKYPBLGWUTN-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 224.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	798.50
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

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-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine?

The IUPAC name of N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine (CID 159060684) is N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine.

What is the SMILES notation for N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine?

The canonical SMILES for N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine is COCc1cccc(N)c1N.COCc1cccc(NC(=O)c2nn(C)c3ncc(Br)cc23)c1N.Cn1nc(C(=O)O)c2cc(Br)cnc21.

What is the InChIKey of N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine?

The InChIKey is JYKSKYPBLGWUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O2.C8H6BrN3O2.C8H12N2O/c1-22-15-11(6-10(17)7-19-15)14(21-22)16(23)20-12-5-3-4-9(8-24-2)13(12)18;1-12-7-5(2-4(9)3-10-7)6(11-12)8(13)14;1-11-5-6-3-2-4-7(9)8(6)10/h3-7H,8,18H2,1-2H3,(H,20,23);2-3H,1H3,(H,13,14);2-4H,5,9-10H2,1H3.

What are the key properties of N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine?

N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine has a molecular weight of 798.50 g/mol, XLogP of 5.14, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-3-(methoxymethyl)phenyl]-5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;5-bromo-1-methylpyrazolo[5,4-b]pyridine-3-carboxylic acid;3-(methoxymethyl)benzene-1,2-diamine is sourced from PubChem (CID 159060684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).