2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide

C27H36F3N7O5S — CID 162613010

IUPAC2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide
SMILESCCCn1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(OCCC4(C(F)(F)F)CC4)C3=O)nc2N2CNCC2(C)C)n1
InChIInChI=1S/C27H36F3N7O5S/c1-4-12-35-13-8-21(33-35)43(40,41)34-23(38)18-5-6-20(32-22(18)37-17-31-16-25(37,2)3)36-14-7-19(24(36)39)42-15-11-26(9-10-26)27(28,29)30/h5-6,8,13,19,31H,4,7,9-12,14-17H2,1-3H3,(H,34,38)
InChIKeyFLSCWFXEQNTYFW-UHFFFAOYSA-N
MW627.69 g/mol
LogP2.81
Rot. Bonds11

About 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide

2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide (PubChem CID 162613010) has the molecular formula C27H36F3N7O5S and a molecular weight of 627.69 g/mol. Its IUPAC name is 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide
PubChem CID162613010
Molecular FormulaC27H36F3N7O5S
Molecular Weight627.69 g/mol
Exact Mass627.25
IUPAC Name2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide
SMILESCCCn1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(OCCC4(C(F)(F)F)CC4)C3=O)nc2N2CNCC2(C)C)n1
InChIInChI=1S/C27H36F3N7O5S/c1-4-12-35-13-8-21(33-35)43(40,41)34-23(38)18-5-6-20(32-22(18)37-17-31-16-25(37,2)3)36-14-7-19(24(36)39)42-15-11-26(9-10-26)27(28,29)30/h5-6,8,13,19,31H,4,7,9-12,14-17H2,1-3H3,(H,34,38)
InChIKeyFLSCWFXEQNTYFW-UHFFFAOYSA-N
XLogP2.81
TPSA138.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.69
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide?
The IUPAC name of 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide (CID 162613010) is 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide is CCCn1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCC(OCCC4(C(F)(F)F)CC4)C3=O)nc2N2CNCC2(C)C)n1.
What is the InChIKey of 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide?
The InChIKey is FLSCWFXEQNTYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3N7O5S/c1-4-12-35-13-8-21(33-35)43(40,41)34-23(38)18-5-6-20(32-22(18)37-17-31-16-25(37,2)3)36-14-7-19(24(36)39)42-15-11-26(9-10-26)27(28,29)30/h5-6,8,13,19,31H,4,7,9-12,14-17H2,1-3H3,(H,34,38).
What are the key properties of 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide?
2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide has a molecular weight of 627.69 g/mol, XLogP of 2.81, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylimidazolidin-1-yl)-6-[2-oxo-3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrrolidin-1-yl]-N-(1-propylpyrazol-3-yl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 162613010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).