5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H21F2N5O4S — CID 71599782

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C23H21F2N5O4S/c1-13-22(14(2)34-27-13)35(32,33)28-23(31)18-12-26-30-9-7-16(11-21(18)30)29-8-3-4-20(29)17-10-15(24)5-6-19(17)25/h5-7,9-12,20H,3-4,8H2,1-2H3,(H,28,31)/t20-/m1/s1
InChIKeyHGNCNPHPGJSAOV-HXUWFJFHSA-N
MW501.52 g/mol
LogP3.68
Rot. Bonds5

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599782) has the molecular formula C23H21F2N5O4S and a molecular weight of 501.52 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599782
Molecular FormulaC23H21F2N5O4S
Molecular Weight501.52 g/mol
Exact Mass501.13
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C23H21F2N5O4S/c1-13-22(14(2)34-27-13)35(32,33)28-23(31)18-12-26-30-9-7-16(11-21(18)30)29-8-3-4-20(29)17-10-15(24)5-6-19(17)25/h5-7,9-12,20H,3-4,8H2,1-2H3,(H,28,31)/t20-/m1/s1
InChIKeyHGNCNPHPGJSAOV-HXUWFJFHSA-N
XLogP3.68
TPSA109.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 53.68
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-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599782) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HGNCNPHPGJSAOV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21F2N5O4S/c1-13-22(14(2)34-27-13)35(32,33)28-23(31)18-12-26-30-9-7-16(11-21(18)30)29-8-3-4-20(29)17-10-15(24)5-6-19(17)25/h5-7,9-12,20H,3-4,8H2,1-2H3,(H,28,31)/t20-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 3.68, 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-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).