6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C30H40F3GeN5O4S — CID 150087327

About 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 150087327) has the molecular formula C30H40F3GeN5O4S and a molecular weight of 696.35 g/mol. Its IUPAC name is 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 150087327
• Molecular Formula: C30H40F3GeN5O4S
• Molecular Weight: 696.35 g/mol
• Exact Mass: 697.20
• IUPAC Name: 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2ccc([Ge](C)(C)C)cc2)C(C)(C)C1
• InChI: InChI=1S/C30H40F3GeN5O4S/c1-20-17-29(4,5)38(18-20)26-23(27(40)37-44(41,42)22-11-9-21(10-12-22)34(6,7)8)13-14-24(35-26)39-16-15-25(36-39)43-19-28(2,3)30(31,32)33/h9-16,20H,17-19H2,1-8H3,(H,37,40)/t20-/m0/s1
• InChIKey: DSMSNCBSMJBDSP-FQEVSTJZSA-N
• XLogP: 5.52
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.35
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 150087327) is 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)ccc2C(=O)NS(=O)(=O)c2ccc([Ge](C)(C)C)cc2)C(C)(C)C1.

What is the InChIKey of 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is DSMSNCBSMJBDSP-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H40F3GeN5O4S/c1-20-17-29(4,5)38(18-20)26-23(27(40)37-44(41,42)22-11-9-21(10-12-22)34(6,7)8)13-14-24(35-26)39-16-15-25(36-39)43-19-28(2,3)30(31,32)33/h9-16,20H,17-19H2,1-8H3,(H,37,40)/t20-/m0/s1.

What are the key properties of 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 696.35 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-N-(4-trimethylgermylphenyl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 150087327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).