2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide

C115H147F12N25O16S4 — CID 157223608

IUPAC2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCCC1CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2cn(C)cc2C)C(C)(C)C1.Cc1cn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)C)CC1(C)C.Cc1cn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)(C)C)CC1(C)C
InChIInChI=1S/C29H38F3N7O4S.2C29H37F3N6O4S.C28H35F3N6O4S/c1-18-21(16-37(7)34-18)44(41,42)36-25(40)20-8-9-22(33-24(20)38-15-19(26(2,3)4)14-27(38,5)6)39-13-10-23(35-39)43-17-28(11-12-28)29(30,31)32;2*1-18(2)20-13-27(4,5)37(15-20)25-21(26(39)35-43(40,41)22-16-36(6)14-19(22)3)7-8-23(33-25)38-12-9-24(34-38)42-17-28(10-11-28)29(30,31)32;1-6-19-13-26(3,4)36(15-19)24-20(25(38)34-42(39,40)21-16-35(5)14-18(21)2)7-8-22(32-24)37-12-9-23(33-37)41-17-27(10-11-27)28(29,30)31/h8-10,13,16,19H,11-12,14-15,17H2,1-7H3,(H,36,40);2*7-9,12,14,16,18,20H,10-11,13,15,17H2,1-6H3,(H,35,39);7-9,12,14,16,19H,6,10-11,13,15,17H2,1-5H3,(H,34,38)
InChIKeyATGZZLQHVQYGCQ-UHFFFAOYSA-N
MW2491.84 g/mol
LogP19.60
Rot. Bonds35

About 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide

2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 157223608) has the molecular formula C115H147F12N25O16S4 and a molecular weight of 2491.84 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID157223608
Molecular FormulaC115H147F12N25O16S4
Molecular Weight2491.84 g/mol
Exact Mass2490.01
IUPAC Name2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCCC1CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2cn(C)cc2C)C(C)(C)C1.Cc1cn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)C)CC1(C)C.Cc1cn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)(C)C)CC1(C)C
InChIInChI=1S/C29H38F3N7O4S.2C29H37F3N6O4S.C28H35F3N6O4S/c1-18-21(16-37(7)34-18)44(41,42)36-25(40)20-8-9-22(33-24(20)38-15-19(26(2,3)4)14-27(38,5)6)39-13-10-23(35-39)43-17-28(11-12-28)29(30,31)32;2*1-18(2)20-13-27(4,5)37(15-20)25-21(26(39)35-43(40,41)22-16-36(6)14-19(22)3)7-8-23(33-25)38-12-9-24(34-38)42-17-28(10-11-28)29(30,31)32;1-6-19-13-26(3,4)36(15-19)24-20(25(38)34-42(39,40)21-16-35(5)14-18(21)2)7-8-22(32-24)37-12-9-23(33-37)41-17-27(10-11-27)28(29,30)31/h8-10,13,16,19H,11-12,14-15,17H2,1-7H3,(H,36,40);2*7-9,12,14,16,18,20H,10-11,13,15,17H2,1-6H3,(H,35,39);7-9,12,14,16,19H,6,10-11,13,15,17H2,1-5H3,(H,34,38)
InChIKeyATGZZLQHVQYGCQ-UHFFFAOYSA-N
XLogP19.60
TPSA458.29 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002491.84
LogP ≤ 519.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Analyze 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 157223608) is 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide is CCC1CN(c2nc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2cn(C)cc2C)C(C)(C)C1.Cc1cn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)C)CC1(C)C.Cc1cn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1CC(C(C)(C)C)CC1(C)C.
What is the InChIKey of 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is ATGZZLQHVQYGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38F3N7O4S.2C29H37F3N6O4S.C28H35F3N6O4S/c1-18-21(16-37(7)34-18)44(41,42)36-25(40)20-8-9-22(33-24(20)38-15-19(26(2,3)4)14-27(38,5)6)39-13-10-23(35-39)43-17-28(11-12-28)29(30,31)32;2*1-18(2)20-13-27(4,5)37(15-20)25-21(26(39)35-43(40,41)22-16-36(6)14-19(22)3)7-8-23(33-25)38-12-9-24(34-38)42-17-28(10-11-28)29(30,31)32;1-6-19-13-26(3,4)36(15-19)24-20(25(38)34-42(39,40)21-16-35(5)14-18(21)2)7-8-22(32-24)37-12-9-23(33-37)41-17-27(10-11-27)28(29,30)31/h8-10,13,16,19H,11-12,14-15,17H2,1-7H3,(H,36,40);2*7-9,12,14,16,18,20H,10-11,13,15,17H2,1-6H3,(H,35,39);7-9,12,14,16,19H,6,10-11,13,15,17H2,1-5H3,(H,34,38).
What are the key properties of 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 2491.84 g/mol, XLogP of 19.60, 35 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,2-dimethylpyrrolidin-1-yl)-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;bis(2-(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-N-(1,4-dimethylpyrrol-3-yl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide);N-(1,4-dimethylpyrrol-3-yl)sulfonyl-2-(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157223608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).