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

C24H28F2N4O4S — CID 71598996

IUPACN-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)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)ccc3OCCF)cc12
InChIInChI=1S/C24H28F2N4O4S/c1-24(2,3)35(32,33)28-23(31)19-15-27-30-11-8-17(14-21(19)30)29-10-4-5-20(29)18-13-16(26)6-7-22(18)34-12-9-25/h6-8,11,13-15,20H,4-5,9-10,12H2,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyVPVUMPGXTIHHEU-HXUWFJFHSA-N
MW506.58 g/mol
LogP4.02
Rot. Bonds7

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

N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598996) has the molecular formula C24H28F2N4O4S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71598996
Molecular FormulaC24H28F2N4O4S
Molecular Weight506.58 g/mol
Exact Mass506.18
IUPAC NameN-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)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)ccc3OCCF)cc12
InChIInChI=1S/C24H28F2N4O4S/c1-24(2,3)35(32,33)28-23(31)19-15-27-30-11-8-17(14-21(19)30)29-10-4-5-20(29)18-13-16(26)6-7-22(18)34-12-9-25/h6-8,11,13-15,20H,4-5,9-10,12H2,1-3H3,(H,28,31)/t20-/m1/s1
InChIKeyVPVUMPGXTIHHEU-HXUWFJFHSA-N
XLogP4.02
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 54.02
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-fluoroethoxy)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-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598996) is N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)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-fluoroethoxy)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-fluoroethoxy)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)ccc3OCCF)cc12.
What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is VPVUMPGXTIHHEU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28F2N4O4S/c1-24(2,3)35(32,33)28-23(31)19-15-27-30-11-8-17(14-21(19)30)29-10-4-5-20(29)18-13-16(26)6-7-22(18)34-12-9-25/h6-8,11,13-15,20H,4-5,9-10,12H2,1-3H3,(H,28,31)/t20-/m1/s1.
What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 4.02, 7 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-fluoroethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).