[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C17H20F2N4O2 — CID 27518931

IUPAC[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)C[C@H](C)O1
InChIInChI=1S/C17H20F2N4O2/c1-9-7-22(8-10(2)25-9)17(24)12-6-20-23-14(15(18)19)5-13(11-3-4-11)21-16(12)23/h5-6,9-11,15H,3-4,7-8H2,1-2H3/t9-,10+
InChIKeyLXLLITBRTAHXKW-AOOOYVTPSA-N
MW350.37 g/mol
LogP2.79
Rot. Bonds3

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

[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 27518931) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID27518931
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)C[C@H](C)O1
InChIInChI=1S/C17H20F2N4O2/c1-9-7-22(8-10(2)25-9)17(24)12-6-20-23-14(15(18)19)5-13(11-3-4-11)21-16(12)23/h5-6,9-11,15H,3-4,7-8H2,1-2H3/t9-,10+
InChIKeyLXLLITBRTAHXKW-AOOOYVTPSA-N
XLogP2.79
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl](piperidin-1-yl)methanone
CID 1093978
5-cyclopropyl-7-(difluoromethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256693
5-Cyclopropyl-7-(difluoromethyl)-3-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2165688
3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1004815
1-{[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}-4-piperidinecarboxamide
CID 969761
5-cyclopropyl-7-(difluoromethyl)-N-(tetrahydro-2-furanylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978511
(7-Difluoromethyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-3-yl)-morpholin-4-yl-methanone
CID 652417
Ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
5-Cyclopropyl-7-(difluoromethyl)-3-(1-pyrrolidinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 1256831
5-Cyclopropyl-7-(difluoromethyl)-2-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2235220
1-[(5,7-Dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
CID 3244226
7-(Difluoromethyl)-3-[(2,6-dimethyl-4-morpholinyl)carbonyl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 655890

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 27518931) is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)C[C@H](C)O1.
What is the InChIKey of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is LXLLITBRTAHXKW-AOOOYVTPSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-9-7-22(8-10(2)25-9)17(24)12-6-20-23-14(15(18)19)5-13(11-3-4-11)21-16(12)23/h5-6,9-11,15H,3-4,7-8H2,1-2H3/t9-,10+.
What are the key properties of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 350.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 27518931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).