2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole

C78H68F8N24O2S2 — CID 158953688

IUPAC2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole
SMILESCCc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.CCc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.Cc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.Cc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1
InChIInChI=1S/C20H18F2N6O.C20H18F2N6S.C19H16F2N6O.C19H16F2N6S/c2*1-2-18-25-26-20(29-18)14-11-23-28-9-7-17(24-19(14)28)27-8-3-4-16(27)13-10-12(21)5-6-15(13)22;2*1-11-24-25-19(28-11)14-10-22-27-8-6-17(23-18(14)27)26-7-2-3-16(26)13-9-12(20)4-5-15(13)21/h2*5-7,9-11,16H,2-4,8H2,1H3;2*4-6,8-10,16H,2-3,7H2,1H3
InChIKeyJLSYIGHINJVXKN-UHFFFAOYSA-N
MW1589.69 g/mol
LogP16.27
Rot. Bonds14

About 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole

2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 158953688) has the molecular formula C78H68F8N24O2S2 and a molecular weight of 1589.69 g/mol. Its IUPAC name is 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID158953688
Molecular FormulaC78H68F8N24O2S2
Molecular Weight1589.69 g/mol
Exact Mass1588.53
IUPAC Name2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole
SMILESCCc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.CCc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.Cc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.Cc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1
InChIInChI=1S/C20H18F2N6O.C20H18F2N6S.C19H16F2N6O.C19H16F2N6S/c2*1-2-18-25-26-20(29-18)14-11-23-28-9-7-17(24-19(14)28)27-8-3-4-16(27)13-10-12(21)5-6-15(13)22;2*1-11-24-25-19(28-11)14-10-22-27-8-6-17(23-18(14)27)26-7-2-3-16(26)13-9-12(20)4-5-15(13)21/h2*5-7,9-11,16H,2-4,8H2,1H3;2*4-6,8-10,16H,2-3,7H2,1H3
InChIKeyJLSYIGHINJVXKN-UHFFFAOYSA-N
XLogP16.27
TPSA263.12 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001589.69
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole (CID 158953688) is 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole is CCc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.CCc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.Cc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.Cc1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.
What is the InChIKey of 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is JLSYIGHINJVXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O.C20H18F2N6S.C19H16F2N6O.C19H16F2N6S/c2*1-2-18-25-26-20(29-18)14-11-23-28-9-7-17(24-19(14)28)27-8-3-4-16(27)13-10-12(21)5-6-15(13)22;2*1-11-24-25-19(28-11)14-10-22-27-8-6-17(23-18(14)27)26-7-2-3-16(26)13-9-12(20)4-5-15(13)21/h2*5-7,9-11,16H,2-4,8H2,1H3;2*4-6,8-10,16H,2-3,7H2,1H3.
What are the key properties of 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole?
2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 1589.69 g/mol, XLogP of 16.27, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-ethyl-1,3,4-thiadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-oxadiazole;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 158953688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).