N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

C30H38F3GeN5O4S — CID 156680992

About N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 156680992) has the molecular formula C30H38F3GeN5O4S and a molecular weight of 694.34 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 156680992
• Molecular Formula: C30H38F3GeN5O4S
• Molecular Weight: 694.34 g/mol
• Exact Mass: 695.18
• IUPAC Name: N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: CC1(C)C[C@@H]([Ge](C)(C)C)CN1c1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C30H38F3GeN5O4S/c1-28(2)19-21(34(3,4)5)20-38(28)26-23(27(40)37-44(41,42)22-9-7-6-8-10-22)11-12-24(35-26)39-17-13-25(36-39)43-18-16-29(14-15-29)30(31,32)33/h6-13,17,21H,14-16,18-20H2,1-5H3,(H,37,40)/t21-/m1/s1
• InChIKey: UOXFMZZDXNTGED-OAQYLSRUSA-N
• XLogP: 6.19
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.34
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 156680992) is N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is CC1(C)C[C@@H]([Ge](C)(C)C)CN1c1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.

What is the InChIKey of N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is UOXFMZZDXNTGED-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H38F3GeN5O4S/c1-28(2)19-21(34(3,4)5)20-38(28)26-23(27(40)37-44(41,42)22-9-7-6-8-10-22)11-12-24(35-26)39-17-13-25(36-39)43-18-16-29(14-15-29)30(31,32)33/h6-13,17,21H,14-16,18-20H2,1-5H3,(H,37,40)/t21-/m1/s1.

What are the key properties of N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?

N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 694.34 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 156680992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).