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

C27H34F3N7O4S — CID 134606333

IUPACN-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C)(C)CC1(C)C
InChIInChI=1S/C27H34F3N7O4S/c1-17-19(13-35(6)32-17)42(39,40)34-23(38)18-7-8-20(31-22(18)36-15-24(2,3)14-25(36,4)5)37-12-9-21(33-37)41-16-26(10-11-26)27(28,29)30/h7-9,12-13H,10-11,14-16H2,1-6H3,(H,34,38)
InChIKeyWUVMWUCBNWIFPB-UHFFFAOYSA-N
MW609.68 g/mol
LogP4.16
Rot. Bonds8

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

N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134606333) has the molecular formula C27H34F3N7O4S and a molecular weight of 609.68 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID134606333
Molecular FormulaC27H34F3N7O4S
Molecular Weight609.68 g/mol
Exact Mass609.23
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C)(C)CC1(C)C
InChIInChI=1S/C27H34F3N7O4S/c1-17-19(13-35(6)32-17)42(39,40)34-23(38)18-7-8-20(31-22(18)36-15-24(2,3)14-25(36,4)5)37-12-9-21(33-37)41-16-26(10-11-26)27(28,29)30/h7-9,12-13H,10-11,14-16H2,1-6H3,(H,34,38)
InChIKeyWUVMWUCBNWIFPB-UHFFFAOYSA-N
XLogP4.16
TPSA124.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.68
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-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-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 134606333) is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-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-(1,3-dimethylpyrazol-4-yl)sulfonyl-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-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C)(C)CC1(C)C.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is WUVMWUCBNWIFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N7O4S/c1-17-19(13-35(6)32-17)42(39,40)34-23(38)18-7-8-20(31-22(18)36-15-24(2,3)14-25(36,4)5)37-12-9-21(33-37)41-16-26(10-11-26)27(28,29)30/h7-9,12-13H,10-11,14-16H2,1-6H3,(H,34,38).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)sulfonyl-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 609.68 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-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 134606333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).