N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H26F4N4O4S — CID 71598907

IUPACN-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCC(F)(F)F)cc12
InChIInChI=1S/C24H26F4N4O4S/c1-23(2,3)37(34,35)30-22(33)18-13-29-32-10-8-16(12-20(18)32)31-9-4-5-19(31)17-11-15(25)6-7-21(17)36-14-24(26,27)28/h6-8,10-13,19H,4-5,9,14H2,1-3H3,(H,30,33)/t19-/m1/s1
InChIKeyKJQXEDLTEKOBTR-LJQANCHMSA-N
MW542.56 g/mol
LogP4.61
Rot. Bonds6

About N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598907) has the molecular formula C24H26F4N4O4S and a molecular weight of 542.56 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71598907
Molecular FormulaC24H26F4N4O4S
Molecular Weight542.56 g/mol
Exact Mass542.16
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCC(F)(F)F)cc12
InChIInChI=1S/C24H26F4N4O4S/c1-23(2,3)37(34,35)30-22(33)18-13-29-32-10-8-16(12-20(18)32)31-9-4-5-19(31)17-11-15(25)6-7-21(17)36-14-24(26,27)28/h6-8,10-13,19H,4-5,9,14H2,1-3H3,(H,30,33)/t19-/m1/s1
InChIKeyKJQXEDLTEKOBTR-LJQANCHMSA-N
XLogP4.61
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598907) is N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3OCC(F)(F)F)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KJQXEDLTEKOBTR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26F4N4O4S/c1-23(2,3)37(34,35)30-22(33)18-13-29-32-10-8-16(12-20(18)32)31-9-4-5-19(31)17-11-15(25)6-7-21(17)36-14-24(26,27)28/h6-8,10-13,19H,4-5,9,14H2,1-3H3,(H,30,33)/t19-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 542.56 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).