[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C20H20F2N4O2 — CID 655890

IUPAC[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC(C)O1
InChIInChI=1S/C20H20F2N4O2/c1-12-10-25(11-13(2)28-12)20(27)15-9-23-26-17(18(21)22)8-16(24-19(15)26)14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyPKRLZVFHCMZUMS-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.58
Rot. Bonds3

About [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 655890) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID655890
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC(C)O1
InChIInChI=1S/C20H20F2N4O2/c1-12-10-25(11-13(2)28-12)20(27)15-9-23-26-17(18(21)22)8-16(24-19(15)26)14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyPKRLZVFHCMZUMS-UHFFFAOYSA-N
XLogP3.58
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone 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 [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 655890) is [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC(C)O1.
What is the InChIKey of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is PKRLZVFHCMZUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-12-10-25(11-13(2)28-12)20(27)15-9-23-26-17(18(21)22)8-16(24-19(15)26)14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3.
What are the key properties of [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 386.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 655890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).