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

C107H100F10N30O2S3 — CID 162070621

IUPAC2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole
SMILESCC(C)(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.CC(C)(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.CC(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4nnc(C5CC5)o4)c3n2)c1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4nnc(C5CC5)s4)c3n2)c1
InChIInChI=1S/C22H22F2N6O.C22H22F2N6S.C21H18F2N6O.C21H18F2N6S.C21H20F2N6S/c2*1-22(2,3)21-28-27-20(31-21)15-12-25-30-10-8-18(26-19(15)30)29-9-4-5-17(29)14-11-13(23)6-7-16(14)24;2*22-13-5-6-16(23)14(10-13)17-2-1-8-28(17)18-7-9-29-19(25-18)15(11-24-29)21-27-26-20(30-21)12-3-4-12;1-12(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/h2*6-8,10-12,17H,4-5,9H2,1-3H3;2*5-7,9-12,17H,1-4,8H2;5-7,9-12,17H,3-4,8H2,1-2H3
InChIKeyZBAKITWNTJJMHJ-UHFFFAOYSA-N
MW2124.37 g/mol
LogP23.87
Rot. Bonds18

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

2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole (PubChem CID 162070621) has the molecular formula C107H100F10N30O2S3 and a molecular weight of 2124.37 g/mol. Its IUPAC name is 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole
PubChem CID162070621
Molecular FormulaC107H100F10N30O2S3
Molecular Weight2124.37 g/mol
Exact Mass2122.76
IUPAC Name2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole
SMILESCC(C)(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.CC(C)(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.CC(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4nnc(C5CC5)o4)c3n2)c1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4nnc(C5CC5)s4)c3n2)c1
InChIInChI=1S/C22H22F2N6O.C22H22F2N6S.C21H18F2N6O.C21H18F2N6S.C21H20F2N6S/c2*1-22(2,3)21-28-27-20(31-21)15-12-25-30-10-8-18(26-19(15)30)29-9-4-5-17(29)14-11-13(23)6-7-16(14)24;2*22-13-5-6-16(23)14(10-13)17-2-1-8-28(17)18-7-9-29-19(25-18)15(11-24-29)21-27-26-20(30-21)12-3-4-12;1-12(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/h2*6-8,10-12,17H,4-5,9H2,1-3H3;2*5-7,9-12,17H,1-4,8H2;5-7,9-12,17H,3-4,8H2,1-2H3
InChIKeyZBAKITWNTJJMHJ-UHFFFAOYSA-N
XLogP23.87
TPSA322.33 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002124.37
LogP ≤ 523.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole?
The IUPAC name of 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole (CID 162070621) is 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole is CC(C)(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)o1.CC(C)(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.CC(C)c1nnc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)s1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4nnc(C5CC5)o4)c3n2)c1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4nnc(C5CC5)s4)c3n2)c1.
What is the InChIKey of 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole?
The InChIKey is ZBAKITWNTJJMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O.C22H22F2N6S.C21H18F2N6O.C21H18F2N6S.C21H20F2N6S/c2*1-22(2,3)21-28-27-20(31-21)15-12-25-30-10-8-18(26-19(15)30)29-9-4-5-17(29)14-11-13(23)6-7-16(14)24;2*22-13-5-6-16(23)14(10-13)17-2-1-8-28(17)18-7-9-29-19(25-18)15(11-24-29)21-27-26-20(30-21)12-3-4-12;1-12(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/h2*6-8,10-12,17H,4-5,9H2,1-3H3;2*5-7,9-12,17H,1-4,8H2;5-7,9-12,17H,3-4,8H2,1-2H3.
What are the key properties of 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole?
2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole has a molecular weight of 2124.37 g/mol, XLogP of 23.87, 18 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-tert-butyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-thiadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3,4-oxadiazole;2-cyclopropyl-5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-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-thiadiazole is sourced from PubChem (CID 162070621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).