4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

C29H29F4N7O2Si — CID 167407735

About 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 167407735) has the molecular formula C29H29F4N7O2Si and a molecular weight of 611.68 g/mol. Its IUPAC name is 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

• Compound Name: 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
• PubChem CID: 167407735
• Molecular Formula: C29H29F4N7O2Si
• Molecular Weight: 611.68 g/mol
• Exact Mass: 611.21
• IUPAC Name: 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
• SMILES: Cc1c2c(nn1COCC[Si](C)(C)C)C(=O)N(c1ccn3ccnc3c1)C2c1ccc(-c2cnn(C(F)(F)F)c2)cc1F
• InChI: InChI=1S/C29H29F4N7O2Si/c1-18-25-26(36-38(18)17-42-11-12-43(2,3)4)28(41)40(21-7-9-37-10-8-34-24(37)14-21)27(25)22-6-5-19(13-23(22)30)20-15-35-39(16-20)29(31,32)33/h5-10,13-16,27H,11-12,17H2,1-4H3
• InChIKey: ZXRAELXNEFNILP-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 82.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.68
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?

The IUPAC name of 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one (CID 167407735) is 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one.

What is the SMILES notation for 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?

The canonical SMILES for 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is Cc1c2c(nn1COCC[Si](C)(C)C)C(=O)N(c1ccn3ccnc3c1)C2c1ccc(-c2cnn(C(F)(F)F)c2)cc1F.

What is the InChIKey of 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?

The InChIKey is ZXRAELXNEFNILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4N7O2Si/c1-18-25-26(36-38(18)17-42-11-12-43(2,3)4)28(41)40(21-7-9-37-10-8-34-24(37)14-21)27(25)22-6-5-19(13-23(22)30)20-15-35-39(16-20)29(31,32)33/h5-10,13-16,27H,11-12,17H2,1-4H3.

What are the key properties of 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one?

4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 611.68 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-5-imidazo[1,2-a]pyridin-7-yl-3-methyl-2-(2-trimethylsilylethoxymethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 167407735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).