N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide

C27H36F3N7O4S — CID 134606004

IUPACN-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC(C)(C)CC1(C)C
InChIInChI=1S/C27H36F3N7O4S/c1-17-19(13-35(8)32-17)42(39,40)34-23(38)18-9-10-20(31-22(18)36-15-24(2,3)14-26(36,6)7)37-12-11-21(33-37)41-16-25(4,5)27(28,29)30/h9-13H,14-16H2,1-8H3,(H,34,38)
InChIKeyFCBDWAQFELQKKE-UHFFFAOYSA-N
MW611.69 g/mol
LogP4.41
Rot. Bonds8

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

N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134606004) has the molecular formula C27H36F3N7O4S and a molecular weight of 611.69 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)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-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID134606004
Molecular FormulaC27H36F3N7O4S
Molecular Weight611.69 g/mol
Exact Mass611.25
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC(C)(C)CC1(C)C
InChIInChI=1S/C27H36F3N7O4S/c1-17-19(13-35(8)32-17)42(39,40)34-23(38)18-9-10-20(31-22(18)36-15-24(2,3)14-26(36,6)7)37-12-11-21(33-37)41-16-25(4,5)27(28,29)30/h9-13H,14-16H2,1-8H3,(H,34,38)
InChIKeyFCBDWAQFELQKKE-UHFFFAOYSA-N
XLogP4.41
TPSA124.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.69
LogP ≤ 54.41
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-(3,3,3-trifluoro-2,2-dimethylpropoxy)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-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide (CID 134606004) is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)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-(3,3,3-trifluoro-2,2-dimethylpropoxy)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-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)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-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is FCBDWAQFELQKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3N7O4S/c1-17-19(13-35(8)32-17)42(39,40)34-23(38)18-9-10-20(31-22(18)36-15-24(2,3)14-26(36,6)7)37-12-11-21(33-37)41-16-25(4,5)27(28,29)30/h9-13H,14-16H2,1-8H3,(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-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2,4,4-tetramethylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 611.69 g/mol, XLogP of 4.41, 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-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134606004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).