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

C27H27F2N5OS — CID 71599180

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(c2nccs2)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C27H27F2N5OS/c28-18-5-8-23(29)21(14-18)24-2-1-11-33(24)20-9-12-34-25(15-20)22(16-31-34)26(35)32-19-6-3-17(4-7-19)27-30-10-13-36-27/h5,8-10,12-17,19,24H,1-4,6-7,11H2,(H,32,35)/t17?,19?,24-/m1/s1
InChIKeyIHNHHTYOLONKMB-VWLBVBLESA-N
MW507.61 g/mol
LogP5.87
Rot. Bonds5

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599180) has the molecular formula C27H27F2N5OS and a molecular weight of 507.61 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599180
Molecular FormulaC27H27F2N5OS
Molecular Weight507.61 g/mol
Exact Mass507.19
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(c2nccs2)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C27H27F2N5OS/c28-18-5-8-23(29)21(14-18)24-2-1-11-33(24)20-9-12-34-25(15-20)22(16-31-34)26(35)32-19-6-3-17(4-7-19)27-30-10-13-36-27/h5,8-10,12-17,19,24H,1-4,6-7,11H2,(H,32,35)/t17?,19?,24-/m1/s1
InChIKeyIHNHHTYOLONKMB-VWLBVBLESA-N
XLogP5.87
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-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-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599180) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-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-(1,3-thiazol-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-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is O=C(NC1CCC(c2nccs2)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-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is IHNHHTYOLONKMB-VWLBVBLESA-N. The full InChI is InChI=1S/C27H27F2N5OS/c28-18-5-8-23(29)21(14-18)24-2-1-11-33(24)20-9-12-34-25(15-20)22(16-31-34)26(35)32-19-6-3-17(4-7-19)27-30-10-13-36-27/h5,8-10,12-17,19,24H,1-4,6-7,11H2,(H,32,35)/t17?,19?,24-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 507.61 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).