5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C23H24F2N4O3S — CID 78127472

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12
InChIInChI=1S/C23H24F2N4O3S/c24-15-3-4-20(25)18(12-15)21-2-1-8-28(21)17-5-9-29-22(13-17)19(14-26-29)23(30)27-16-6-10-33(31,32)11-7-16/h3-5,9,12-14,16,21H,1-2,6-8,10-11H2,(H,27,30)
InChIKeyAJVKMRWRUMDHKY-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.26
Rot. Bonds4

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 78127472) has the molecular formula C23H24F2N4O3S and a molecular weight of 474.53 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID78127472
Molecular FormulaC23H24F2N4O3S
Molecular Weight474.53 g/mol
Exact Mass474.15
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12
InChIInChI=1S/C23H24F2N4O3S/c24-15-3-4-20(25)18(12-15)21-2-1-8-28(21)17-5-9-29-22(13-17)19(14-26-29)23(30)27-16-6-10-33(31,32)11-7-16/h3-5,9,12-14,16,21H,1-2,6-8,10-11H2,(H,27,30)
InChIKeyAJVKMRWRUMDHKY-UHFFFAOYSA-N
XLogP3.26
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 78127472) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AJVKMRWRUMDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3S/c24-15-3-4-20(25)18(12-15)21-2-1-8-28(21)17-5-9-29-22(13-17)19(14-26-29)23(30)27-16-6-10-33(31,32)11-7-16/h3-5,9,12-14,16,21H,1-2,6-8,10-11H2,(H,27,30).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 78127472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).