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-propan-2-yl-1,3,4-oxadiazole

C99H88F10N30O3S2 — CID 162138763

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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.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
InChIInChI=1S/C21H20F2N6O.C20H18F2N6O.C20H18F2N6S.C19H16F2N6O.C19H16F2N6S/c1-12(2)20-26-27-21(30-20)15-11-24-29-9-7-18(25-19(15)29)28-8-3-4-17(28)14-10-13(22)5-6-16(14)23;2*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/h5-7,9-12,17H,3-4,8H2,1-2H3;2*5-7,9-11,16H,2-4,8H2,1H3;2*4-6,8-10,16H,2-3,7H2,1H3
InChIKeyZJQMWXCBGAAUIK-UHFFFAOYSA-N
MW2000.11 g/mol
LogP20.80
Rot. Bonds18

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-propan-2-yl-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-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-propan-2-yl-1,3,4-oxadiazole (PubChem CID 162138763) has the molecular formula C99H88F10N30O3S2 and a molecular weight of 2000.11 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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.

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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID162138763
Molecular FormulaC99H88F10N30O3S2
Molecular Weight2000.11 g/mol
Exact Mass1998.69
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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.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
InChIInChI=1S/C21H20F2N6O.C20H18F2N6O.C20H18F2N6S.C19H16F2N6O.C19H16F2N6S/c1-12(2)20-26-27-21(30-20)15-11-24-29-9-7-18(25-19(15)29)28-8-3-4-17(28)14-10-13(22)5-6-16(14)23;2*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/h5-7,9-12,17H,3-4,8H2,1-2H3;2*5-7,9-11,16H,2-4,8H2,1H3;2*4-6,8-10,16H,2-3,7H2,1H3
InChIKeyZJQMWXCBGAAUIK-UHFFFAOYSA-N
XLogP20.80
TPSA335.47 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.11
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole 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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 162138763) 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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole.
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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is ZJQMWXCBGAAUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O.C20H18F2N6O.C20H18F2N6S.C19H16F2N6O.C19H16F2N6S/c1-12(2)20-26-27-21(30-20)15-11-24-29-9-7-18(25-19(15)29)28-8-3-4-17(28)14-10-13(22)5-6-16(14)23;2*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/h5-7,9-12,17H,3-4,8H2,1-2H3;2*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-propan-2-yl-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-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-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 2000.11 g/mol, XLogP of 20.80, 18 rotatable bonds, 0 hydrogen bond donors, and 35 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;2-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 162138763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).