[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone

C23H18ClFN4O2 — CID 46080276

IUPAC[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nc2cc(-c3ccc(Cl)cc3)nn12)N1CCOCC1
InChIInChI=1S/C23H18ClFN4O2/c24-16-7-5-15(6-8-16)19-14-22-26-20(17-3-1-2-4-18(17)25)13-21(29(22)27-19)23(30)28-9-11-31-12-10-28/h1-8,13-14H,9-12H2
InChIKeyUHFBJDIPOSAQBX-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.33
Rot. Bonds3

About [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone

[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone (PubChem CID 46080276) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone
PubChem CID46080276
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nc2cc(-c3ccc(Cl)cc3)nn12)N1CCOCC1
InChIInChI=1S/C23H18ClFN4O2/c24-16-7-5-15(6-8-16)19-14-22-26-20(17-3-1-2-4-18(17)25)13-21(29(22)27-19)23(30)28-9-11-31-12-10-28/h1-8,13-14H,9-12H2
InChIKeyUHFBJDIPOSAQBX-UHFFFAOYSA-N
XLogP4.33
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1015601
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CID 1069844
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CID 1113965
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CID 3273387
CID 3273387
CID 1100830
CID 1100830
CID 1110941
CID 1110941
CID 1110947
CID 1110947
CID 3104830
CID 3104830
CID 3113006
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CID 22291701
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CID 91885485
CID 91885485

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone (CID 46080276) is [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccccc2F)nc2cc(-c3ccc(Cl)cc3)nn12)N1CCOCC1.
What is the InChIKey of [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is UHFBJDIPOSAQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c24-16-7-5-15(6-8-16)19-14-22-26-20(17-3-1-2-4-18(17)25)13-21(29(22)27-19)23(30)28-9-11-31-12-10-28/h1-8,13-14H,9-12H2.
What are the key properties of [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone?
[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 436.87 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46080276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).