4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone

C18H21FN4O — CID 163294693

IUPAC4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone
SMILESCCc1cc(-c2cc(C(=O)N3CCCCC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C18H21FN4O/c1-2-12-9-13(14(19)11-20-12)15-10-16(22-21-15)17(24)23-8-4-3-5-18(23)6-7-18/h9-11H,2-8H2,1H3,(H,21,22)
InChIKeyHRZDAULEELEVCR-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.33
Rot. Bonds3

About 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone

4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone (PubChem CID 163294693) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone
PubChem CID163294693
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone
SMILESCCc1cc(-c2cc(C(=O)N3CCCCC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C18H21FN4O/c1-2-12-9-13(14(19)11-20-12)15-10-16(22-21-15)17(24)23-8-4-3-5-18(23)6-7-18/h9-11H,2-8H2,1H3,(H,21,22)
InChIKeyHRZDAULEELEVCR-UHFFFAOYSA-N
XLogP3.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone (CID 163294693) is 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone is CCc1cc(-c2cc(C(=O)N3CCCCC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is HRZDAULEELEVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-12-9-13(14(19)11-20-12)15-10-16(22-21-15)17(24)23-8-4-3-5-18(23)6-7-18/h9-11H,2-8H2,1H3,(H,21,22).
What are the key properties of 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.5]octan-4-yl-[3-(2-ethyl-5-fluoro-4-pyridinyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 163294693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).