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

C27H25F5N6O2 — CID 71599345

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(c2nnc(C(F)(F)F)o2)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C27H25F5N6O2/c28-16-5-8-21(29)19(12-16)22-2-1-10-37(22)18-9-11-38-23(13-18)20(14-33-38)24(39)34-17-6-3-15(4-7-17)25-35-36-26(40-25)27(30,31)32/h5,8-9,11-15,17,22H,1-4,6-7,10H2,(H,34,39)/t15?,17?,22-/m1/s1
InChIKeyONJZJUSLGZJBRP-SGHZUCRHSA-N
MW560.53 g/mol
LogP5.81
Rot. Bonds5

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599345) has the molecular formula C27H25F5N6O2 and a molecular weight of 560.53 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599345
Molecular FormulaC27H25F5N6O2
Molecular Weight560.53 g/mol
Exact Mass560.20
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(c2nnc(C(F)(F)F)o2)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C27H25F5N6O2/c28-16-5-8-21(29)19(12-16)22-2-1-10-37(22)18-9-11-38-23(13-18)20(14-33-38)24(39)34-17-6-3-15(4-7-17)25-35-36-26(40-25)27(30,31)32/h5,8-9,11-15,17,22H,1-4,6-7,10H2,(H,34,39)/t15?,17?,22-/m1/s1
InChIKeyONJZJUSLGZJBRP-SGHZUCRHSA-N
XLogP5.81
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.53
LogP ≤ 55.81
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-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599345) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CCC(c2nnc(C(F)(F)F)o2)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ONJZJUSLGZJBRP-SGHZUCRHSA-N. The full InChI is InChI=1S/C27H25F5N6O2/c28-16-5-8-21(29)19(12-16)22-2-1-10-37(22)18-9-11-38-23(13-18)20(14-33-38)24(39)34-17-6-3-15(4-7-17)25-35-36-26(40-25)27(30,31)32/h5,8-9,11-15,17,22H,1-4,6-7,10H2,(H,34,39)/t15?,17?,22-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 560.53 g/mol, XLogP of 5.81, 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-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).