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

C26H20F2N6OS — CID 71599087

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C26H20F2N6OS/c27-17-5-6-21(28)19(11-17)23-4-2-9-33(23)18-7-10-34-24(12-18)20(14-30-34)25(35)32-26-31-22(15-36-26)16-3-1-8-29-13-16/h1,3,5-8,10-15,23H,2,4,9H2,(H,31,32,35)/t23-/m1/s1
InChIKeyXJPZNXLZPRKTFA-HSZRJFAPSA-N
MW502.55 g/mol
LogP5.72
Rot. Bonds5

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599087) has the molecular formula C26H20F2N6OS and a molecular weight of 502.55 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599087
Molecular FormulaC26H20F2N6OS
Molecular Weight502.55 g/mol
Exact Mass502.14
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C26H20F2N6OS/c27-17-5-6-21(28)19(11-17)23-4-2-9-33(23)18-7-10-34-24(12-18)20(14-30-34)25(35)32-26-31-22(15-36-26)16-3-1-8-29-13-16/h1,3,5-8,10-15,23H,2,4,9H2,(H,31,32,35)/t23-/m1/s1
InChIKeyXJPZNXLZPRKTFA-HSZRJFAPSA-N
XLogP5.72
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599087) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XJPZNXLZPRKTFA-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H20F2N6OS/c27-17-5-6-21(28)19(11-17)23-4-2-9-33(23)18-7-10-34-24(12-18)20(14-30-34)25(35)32-26-31-22(15-36-26)16-3-1-8-29-13-16/h1,3,5-8,10-15,23H,2,4,9H2,(H,31,32,35)/t23-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 502.55 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).