5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine

C39H32F4N10O — CID 159091912

IUPAC5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4cnco4)c3n2)c1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(C4=CCN=C4)c3n2)c1
InChIInChI=1S/C20H17F2N5.C19H15F2N5O/c21-14-3-4-17(22)15(10-14)18-2-1-8-26(18)19-6-9-27-20(25-19)16(12-24-27)13-5-7-23-11-13;20-12-3-4-15(21)13(8-12)16-2-1-6-25(16)18-5-7-26-19(24-18)14(9-23-26)17-10-22-11-27-17/h3-6,9-12,18H,1-2,7-8H2;3-5,7-11,16H,1-2,6H2
InChIKeyKCECRZZSNQAASF-UHFFFAOYSA-N
MW732.75 g/mol
LogP7.82
Rot. Bonds6

About 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine

5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 159091912) has the molecular formula C39H32F4N10O and a molecular weight of 732.75 g/mol. Its IUPAC name is 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID159091912
Molecular FormulaC39H32F4N10O
Molecular Weight732.75 g/mol
Exact Mass732.27
IUPAC Name5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4cnco4)c3n2)c1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(C4=CCN=C4)c3n2)c1
InChIInChI=1S/C20H17F2N5.C19H15F2N5O/c21-14-3-4-17(22)15(10-14)18-2-1-8-26(18)19-6-9-27-20(25-19)16(12-24-27)13-5-7-23-11-13;20-12-3-4-15(21)13(8-12)16-2-1-6-25(16)18-5-7-26-19(24-18)14(9-23-26)17-10-22-11-27-17/h3-6,9-12,18H,1-2,7-8H2;3-5,7-11,16H,1-2,6H2
InChIKeyKCECRZZSNQAASF-UHFFFAOYSA-N
XLogP7.82
TPSA105.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500732.75
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 159091912) is 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine is Fc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4cnco4)c3n2)c1.Fc1ccc(F)c(C2CCCN2c2ccn3ncc(C4=CCN=C4)c3n2)c1.
What is the InChIKey of 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is KCECRZZSNQAASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5.C19H15F2N5O/c21-14-3-4-17(22)15(10-14)18-2-1-8-26(18)19-6-9-27-20(25-19)16(12-24-27)13-5-7-23-11-13;20-12-3-4-15(21)13(8-12)16-2-1-6-25(16)18-5-7-26-19(24-18)14(9-23-26)17-10-22-11-27-17/h3-6,9-12,18H,1-2,7-8H2;3-5,7-11,16H,1-2,6H2.
What are the key properties of 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine?
5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 732.75 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-oxazole;5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(2H-pyrrol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 159091912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).