5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole

C19H16ClFN6O — CID 121319361

IUPAC5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole
SMILESFc1c(Cl)cccc1-c1nc(-c2cnn3c(C4CCNCC4)ccnc23)no1
InChIInChI=1S/C19H16ClFN6O/c20-14-3-1-2-12(16(14)21)19-25-17(26-28-19)13-10-24-27-15(6-9-23-18(13)27)11-4-7-22-8-5-11/h1-3,6,9-11,22H,4-5,7-8H2
InChIKeyVISFLZWQONDJKL-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.71
Rot. Bonds3

About 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole

5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole (PubChem CID 121319361) has the molecular formula C19H16ClFN6O and a molecular weight of 398.83 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole
PubChem CID121319361
Molecular FormulaC19H16ClFN6O
Molecular Weight398.83 g/mol
Exact Mass398.11
IUPAC Name5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole
SMILESFc1c(Cl)cccc1-c1nc(-c2cnn3c(C4CCNCC4)ccnc23)no1
InChIInChI=1S/C19H16ClFN6O/c20-14-3-1-2-12(16(14)21)19-25-17(26-28-19)13-10-24-27-15(6-9-23-18(13)27)11-4-7-22-8-5-11/h1-3,6,9-11,22H,4-5,7-8H2
InChIKeyVISFLZWQONDJKL-UHFFFAOYSA-N
XLogP3.71
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-N-[5-(3-chlorophenyl)-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063241
2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide
CID 165414893
2-Chloro-4-fluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892963
2-Chloro-5-fluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892969
2-Chloro-4-fluoro-N-({7-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91893294
1-[2-[(1R,3S,5R)-3-[[(1S)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 162653617
3-chloro-N-(3-(2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)benzamide
CID 46883708
(R)-6-chloro-N-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)picolinamide
CID 58386255
4-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 58386274
5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 58386301
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 71009425
US9777000, Example 3.41
CID 90383197

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole (CID 121319361) is 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole is Fc1c(Cl)cccc1-c1nc(-c2cnn3c(C4CCNCC4)ccnc23)no1.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is VISFLZWQONDJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN6O/c20-14-3-1-2-12(16(14)21)19-25-17(26-28-19)13-10-24-27-15(6-9-23-18(13)27)11-4-7-22-8-5-11/h1-3,6,9-11,22H,4-5,7-8H2.
What are the key properties of 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole?
5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 398.83 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-3-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 121319361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).