5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

C23H22F2N6O3S — CID 71599944

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)cn1C
InChIInChI=1S/C23H22F2N6O3S/c1-14-27-22(13-29(14)2)35(33,34)28-23(32)18-12-26-31-9-7-16(11-21(18)31)30-8-3-4-20(30)17-10-15(24)5-6-19(17)25/h5-7,9-13,20H,3-4,8H2,1-2H3,(H,28,32)/t20-/m1/s1
InChIKeyQLVXWLMQHMZVKL-HXUWFJFHSA-N
MW500.53 g/mol
LogP3.11
Rot. Bonds5

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599944) has the molecular formula C23H22F2N6O3S and a molecular weight of 500.53 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599944
Molecular FormulaC23H22F2N6O3S
Molecular Weight500.53 g/mol
Exact Mass500.14
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1nc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)cn1C
InChIInChI=1S/C23H22F2N6O3S/c1-14-27-22(13-29(14)2)35(33,34)28-23(32)18-12-26-31-9-7-16(11-21(18)31)30-8-3-4-20(30)17-10-15(24)5-6-19(17)25/h5-7,9-13,20H,3-4,8H2,1-2H3,(H,28,32)/t20-/m1/s1
InChIKeyQLVXWLMQHMZVKL-HXUWFJFHSA-N
XLogP3.11
TPSA101.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599944) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)cn1C.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QLVXWLMQHMZVKL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22F2N6O3S/c1-14-27-22(13-29(14)2)35(33,34)28-23(32)18-12-26-31-9-7-16(11-21(18)31)30-8-3-4-20(30)17-10-15(24)5-6-19(17)25/h5-7,9-13,20H,3-4,8H2,1-2H3,(H,28,32)/t20-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,2-dimethylimidazol-4-yl)sulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).