[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C23H27FN4O2 — CID 42877208

IUPAC[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3F)n3nc(C(C)(C)C)cc3n2)CC(C)O1
InChIInChI=1S/C23H27FN4O2/c1-14-12-27(13-15(2)30-14)22(29)18-10-19(16-8-6-7-9-17(16)24)28-21(25-18)11-20(26-28)23(3,4)5/h6-11,14-15H,12-13H2,1-5H3
InChIKeyBJUVIQGPDYNMKK-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.08
Rot. Bonds2

About [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 42877208) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID42877208
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3F)n3nc(C(C)(C)C)cc3n2)CC(C)O1
InChIInChI=1S/C23H27FN4O2/c1-14-12-27(13-15(2)30-14)22(29)18-10-19(16-8-6-7-9-17(16)24)28-21(25-18)11-20(26-28)23(3,4)5/h6-11,14-15H,12-13H2,1-5H3
InChIKeyBJUVIQGPDYNMKK-UHFFFAOYSA-N
XLogP4.08
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46079513
[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42877639
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 42877225
[2-tert-butyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42877259
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]methanone
CID 7283089
2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079878
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 39952041
(3-tert-butyl-2-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 89458475
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465305
5-[(2-chloro-6-fluorophenyl)methyl]-2-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 93006169

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 42877208) is [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3ccccc3F)n3nc(C(C)(C)C)cc3n2)CC(C)O1.
What is the InChIKey of [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is BJUVIQGPDYNMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-14-12-27(13-15(2)30-14)22(29)18-10-19(16-8-6-7-9-17(16)24)28-21(25-18)11-20(26-28)23(3,4)5/h6-11,14-15H,12-13H2,1-5H3.
What are the key properties of [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 410.49 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 42877208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).