2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride

C112H162Cl2F12N28O16S4Si4 — CID 158867567

IUPAC2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride
SMILESCC1(C)CC([Si](C)(C)C)CN1.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1Cl.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cl
InChIInChI=1S/3C28H40F3N7O4SSi.C19H20ClF3N6O4S.C9H21NSi.ClH/c3*1-18-21(16-36(6)33-18)43(40,41)35-25(39)20-10-11-22(32-24(20)37-15-19(44(7,8)9)14-27(37,4)5)38-13-12-23(34-38)42-17-26(2,3)28(29,30)31;1-11-13(9-28(4)25-11)34(31,32)27-17(30)12-5-6-14(24-16(12)20)29-8-7-15(26-29)33-10-18(2,3)19(21,22)23;1-9(2)6-8(7-10-9)11(3,4)5;/h3*10-13,16,19H,14-15,17H2,1-9H3,(H,35,39);5-9H,10H2,1-4H3,(H,27,30);8,10H,6-7H2,1-5H3;1H
InChIKeyOKQHEORLQFOWEK-UHFFFAOYSA-N
MW2696.20 g/mol
LogP21.21
Rot. Bonds35

About 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride

2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride (PubChem CID 158867567) has the molecular formula C112H162Cl2F12N28O16S4Si4 and a molecular weight of 2696.20 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride
PubChem CID158867567
Molecular FormulaC112H162Cl2F12N28O16S4Si4
Molecular Weight2696.20 g/mol
Exact Mass2692.99
IUPAC Name2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride
SMILESCC1(C)CC([Si](C)(C)C)CN1.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1Cl.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cl
InChIInChI=1S/3C28H40F3N7O4SSi.C19H20ClF3N6O4S.C9H21NSi.ClH/c3*1-18-21(16-36(6)33-18)43(40,41)35-25(39)20-10-11-22(32-24(20)37-15-19(44(7,8)9)14-27(37,4)5)38-13-12-23(34-38)42-17-26(2,3)28(29,30)31;1-11-13(9-28(4)25-11)34(31,32)27-17(30)12-5-6-14(24-16(12)20)29-8-7-15(26-29)33-10-18(2,3)19(21,22)23;1-9(2)6-8(7-10-9)11(3,4)5;/h3*10-13,16,19H,14-15,17H2,1-9H3,(H,35,39);5-9H,10H2,1-4H3,(H,27,30);8,10H,6-7H2,1-5H3;1H
InChIKeyOKQHEORLQFOWEK-UHFFFAOYSA-N
XLogP21.21
TPSA505.75 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002696.20
LogP ≤ 521.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride?
The IUPAC name of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride (CID 158867567) is 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride.
What is the SMILES notation for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride?
The canonical SMILES for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride is CC1(C)CC([Si](C)(C)C)CN1.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1Cl.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1CC([Si](C)(C)C)CC1(C)C.Cl.
What is the InChIKey of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride?
The InChIKey is OKQHEORLQFOWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H40F3N7O4SSi.C19H20ClF3N6O4S.C9H21NSi.ClH/c3*1-18-21(16-36(6)33-18)43(40,41)35-25(39)20-10-11-22(32-24(20)37-15-19(44(7,8)9)14-27(37,4)5)38-13-12-23(34-38)42-17-26(2,3)28(29,30)31;1-11-13(9-28(4)25-11)34(31,32)27-17(30)12-5-6-14(24-16(12)20)29-8-7-15(26-29)33-10-18(2,3)19(21,22)23;1-9(2)6-8(7-10-9)11(3,4)5;/h3*10-13,16,19H,14-15,17H2,1-9H3,(H,35,39);5-9H,10H2,1-4H3,(H,27,30);8,10H,6-7H2,1-5H3;1H.
What are the key properties of 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride?
2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride has a molecular weight of 2696.20 g/mol, XLogP of 21.21, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;tris(N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-(2,2-dimethyl-4-trimethylsilylpyrrolidin-1-yl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide);(5,5-dimethylpyrrolidin-3-yl)-trimethylsilane;hydrochloride is sourced from PubChem (CID 158867567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).