[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone

C25H21F3N6O — CID 157037723

About [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone

[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone (PubChem CID 157037723) has the molecular formula C25H21F3N6O and a molecular weight of 478.48 g/mol. Its IUPAC name is [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone.

Molecular Properties

• Compound Name: [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone
• PubChem CID: 157037723
• Molecular Formula: C25H21F3N6O
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.17
• IUPAC Name: [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone
• SMILES: Cn1cc2c3cc(C(=O)N4CCCC4c4ncc[nH]4)ccc3n(-c3ccc(C(F)(F)F)cc3)c2n1
• InChI: InChI=1S/C25H21F3N6O/c1-32-14-19-18-13-15(24(35)33-12-2-3-21(33)22-29-10-11-30-22)4-9-20(18)34(23(19)31-32)17-7-5-16(6-8-17)25(26,27)28/h4-11,13-14,21H,2-3,12H2,1H3,(H,29,30)
• InChIKey: FBCVZSLLJVXYAX-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 71.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone?

The IUPAC name of [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone (CID 157037723) is [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone.

What is the SMILES notation for [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone?

The canonical SMILES for [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone is Cn1cc2c3cc(C(=O)N4CCCC4c4ncc[nH]4)ccc3n(-c3ccc(C(F)(F)F)cc3)c2n1.

What is the InChIKey of [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone?

The InChIKey is FBCVZSLLJVXYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O/c1-32-14-19-18-13-15(24(35)33-12-2-3-21(33)22-29-10-11-30-22)4-9-20(18)34(23(19)31-32)17-7-5-16(6-8-17)25(26,27)28/h4-11,13-14,21H,2-3,12H2,1H3,(H,29,30).

What are the key properties of [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone?

[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone has a molecular weight of 478.48 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indol-7-yl]methanone is sourced from PubChem (CID 157037723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).