N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide

C28H32F3N5O4S — CID 134393656

IUPACN-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCC1(C)CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C28H32F3N5O4S/c1-25(2)16-26(3,4)35(17-25)23-20(24(37)34-41(38,39)19-8-6-5-7-9-19)10-11-21(32-23)36-15-12-22(33-36)40-18-27(13-14-27)28(29,30)31/h5-12,15H,13-14,16-18H2,1-4H3,(H,34,37)
InChIKeyXYENWMOSXPHBOT-UHFFFAOYSA-N
MW591.66 g/mol
LogP5.12
Rot. Bonds8

About N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide

N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134393656) has the molecular formula C28H32F3N5O4S and a molecular weight of 591.66 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID134393656
Molecular FormulaC28H32F3N5O4S
Molecular Weight591.66 g/mol
Exact Mass591.21
IUPAC NameN-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCC1(C)CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C28H32F3N5O4S/c1-25(2)16-26(3,4)35(17-25)23-20(24(37)34-41(38,39)19-8-6-5-7-9-19)10-11-21(32-23)36-15-12-22(33-36)40-18-27(13-14-27)28(29,30)31/h5-12,15H,13-14,16-18H2,1-4H3,(H,34,37)
InChIKeyXYENWMOSXPHBOT-UHFFFAOYSA-N
XLogP5.12
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.66
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 134393656) is N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide is CC1(C)CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1.
What is the InChIKey of N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is XYENWMOSXPHBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O4S/c1-25(2)16-26(3,4)35(17-25)23-20(24(37)34-41(38,39)19-8-6-5-7-9-19)10-11-21(32-23)36-15-12-22(33-36)40-18-27(13-14-27)28(29,30)31/h5-12,15H,13-14,16-18H2,1-4H3,(H,34,37).
What are the key properties of N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 591.66 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134393656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).