2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

C30H32N12O2 — CID 159918605

About 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one

2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 159918605) has the molecular formula C30H32N12O2 and a molecular weight of 592.67 g/mol. Its IUPAC name is 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

• Compound Name: 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
• PubChem CID: 159918605
• Molecular Formula: C30H32N12O2
• Molecular Weight: 592.67 g/mol
• Exact Mass: 592.28
• IUPAC Name: 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one
• SMILES: Cc1[nH]nc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)c1N.Cc1[nH]nc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)c1N
• InChI: InChI=1S/2C15H16N6O/c2*1-6-11(16)12(21-20-6)13-17-9-4-7-8(5-10(9)18-13)19-14(22)15(7,2)3/h2*4-5H,16H2,1-3H3,(H,17,18)(H,19,22)(H,20,21)
• InChIKey: NYCMNZKGUOQEGY-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 224.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.67
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?

The IUPAC name of 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one (CID 159918605) is 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one.

What is the SMILES notation for 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?

The canonical SMILES for 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is Cc1[nH]nc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)c1N.Cc1[nH]nc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)c1N.

What is the InChIKey of 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?

The InChIKey is NYCMNZKGUOQEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16N6O/c2*1-6-11(16)12(21-20-6)13-17-9-4-7-8(5-10(9)18-13)19-14(22)15(7,2)3/h2*4-5H,16H2,1-3H3,(H,17,18)(H,19,22)(H,20,21).

What are the key properties of 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one?

2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 592.67 g/mol, XLogP of 4.15, 2 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-5-methyl-1H-pyrazol-3-yl)-7,7-dimethyl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 159918605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).