5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine

C20H18F2N6O — CID 134480568

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1coc(-c2c(N)nn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)n1
InChIInChI=1S/C20H18F2N6O/c1-11-10-29-20(24-11)17-18(23)26-28-8-6-16(25-19(17)28)27-7-2-3-15(27)13-9-12(21)4-5-14(13)22/h4-6,8-10,15H,2-3,7H2,1H3,(H2,23,26)
InChIKeyJXKUYWODISXSGX-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.89
Rot. Bonds3

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 134480568) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID134480568
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1coc(-c2c(N)nn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)n1
InChIInChI=1S/C20H18F2N6O/c1-11-10-29-20(24-11)17-18(23)26-28-8-6-16(25-19(17)28)27-7-2-3-15(27)13-9-12(21)4-5-14(13)22/h4-6,8-10,15H,2-3,7H2,1H3,(H2,23,26)
InChIKeyJXKUYWODISXSGX-UHFFFAOYSA-N
XLogP3.89
TPSA85.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 134480568) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine is Cc1coc(-c2c(N)nn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)n1.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is JXKUYWODISXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c1-11-10-29-20(24-11)17-18(23)26-28-8-6-16(25-19(17)28)27-7-2-3-15(27)13-9-12(21)4-5-14(13)22/h4-6,8-10,15H,2-3,7H2,1H3,(H2,23,26).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 396.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-methyl-1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 134480568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).