4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C27H25N5O4 — CID 151891639

About 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 151891639) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 151891639
• Molecular Formula: C27H25N5O4
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.19
• IUPAC Name: 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1nn(C)c2ncc(C(N)=O)c(C34C(=O)c5c(N)cccc5C3(O)Oc3cc(C(C)C)ccc34)c12
• InChI: InChI=1S/C27H25N5O4/c1-12(2)14-8-9-16-19(10-14)36-27(35)17-6-5-7-18(28)21(17)23(33)26(16,27)22-15(24(29)34)11-30-25-20(22)13(3)31-32(25)4/h5-12,35H,28H2,1-4H3,(H2,29,34)
• InChIKey: SQVWWTFISDRPIF-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 146.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 151891639) is 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(N)=O)c(C34C(=O)c5c(N)cccc5C3(O)Oc3cc(C(C)C)ccc34)c12.

What is the InChIKey of 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is SQVWWTFISDRPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-12(2)14-8-9-16-19(10-14)36-27(35)17-6-5-7-18(28)21(17)23(33)26(16,27)22-15(24(29)34)11-30-25-20(22)13(3)31-32(25)4/h5-12,35H,28H2,1-4H3,(H2,29,34).

What are the key properties of 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?

4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 151891639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).