2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H26FN5O5S — CID 140661514

IUPAC2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cc(F)cc4c3OCCCO4)cc2c1C(N)=O
InChIInChI=1S/C23H26FN5O5S/c1-27(2)35(31,32)23-20(22(25)30)18-13-15(6-8-29(18)26-23)28-7-3-5-17(28)16-11-14(24)12-19-21(16)34-10-4-9-33-19/h6,8,11-13,17H,3-5,7,9-10H2,1-2H3,(H2,25,30)
InChIKeySMRFSBZVVDSJRX-UHFFFAOYSA-N
MW503.56 g/mol
LogP2.33
Rot. Bonds5

About 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 140661514) has the molecular formula C23H26FN5O5S and a molecular weight of 503.56 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID140661514
Molecular FormulaC23H26FN5O5S
Molecular Weight503.56 g/mol
Exact Mass503.16
IUPAC Name2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cc(F)cc4c3OCCCO4)cc2c1C(N)=O
InChIInChI=1S/C23H26FN5O5S/c1-27(2)35(31,32)23-20(22(25)30)18-13-15(6-8-29(18)26-23)28-7-3-5-17(28)16-11-14(24)12-19-21(16)34-10-4-9-33-19/h6,8,11-13,17H,3-5,7,9-10H2,1-2H3,(H2,25,30)
InChIKeySMRFSBZVVDSJRX-UHFFFAOYSA-N
XLogP2.33
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 140661514) is 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cc(F)cc4c3OCCCO4)cc2c1C(N)=O.
What is the InChIKey of 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SMRFSBZVVDSJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O5S/c1-27(2)35(31,32)23-20(22(25)30)18-13-15(6-8-29(18)26-23)28-7-3-5-17(28)16-11-14(24)12-19-21(16)34-10-4-9-33-19/h6,8,11-13,17H,3-5,7,9-10H2,1-2H3,(H2,25,30).
What are the key properties of 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoyl)-5-[2-(8-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140661514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).