N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide

C23H19BrN6O3 — CID 19482242

About N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide

N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide (PubChem CID 19482242) has the molecular formula C23H19BrN6O3 and a molecular weight of 507.35 g/mol. Its IUPAC name is N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
• PubChem CID: 19482242
• Molecular Formula: C23H19BrN6O3
• Molecular Weight: 507.35 g/mol
• Exact Mass: 506.07
• IUPAC Name: N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
• SMILES: Cc1nn(CC(=O)Nc2cnn(COc3ccc(Br)cc3)c2)c2nccc(-c3ccco3)c12
• InChI: InChI=1S/C23H19BrN6O3/c1-15-22-19(20-3-2-10-32-20)8-9-25-23(22)30(28-15)13-21(31)27-17-11-26-29(12-17)14-33-18-6-4-16(24)5-7-18/h2-12H,13-14H2,1H3,(H,27,31)
• InChIKey: SVXMKSUPAZRCFM-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 100.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.35
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?

The IUPAC name of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide (CID 19482242) is N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide.

What is the SMILES notation for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?

The canonical SMILES for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide is Cc1nn(CC(=O)Nc2cnn(COc3ccc(Br)cc3)c2)c2nccc(-c3ccco3)c12.

What is the InChIKey of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?

The InChIKey is SVXMKSUPAZRCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN6O3/c1-15-22-19(20-3-2-10-32-20)8-9-25-23(22)30(28-15)13-21(31)27-17-11-26-29(12-17)14-33-18-6-4-16(24)5-7-18/h2-12H,13-14H2,1H3,(H,27,31).

What are the key properties of N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide?

N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide has a molecular weight of 507.35 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19482242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).