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

C17H19FN4O2 — CID 163294667

IUPAC4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1cc(-c2cc(C(=O)N3CCCCC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C17H19FN4O2/c1-24-15-8-11(12(18)10-19-15)13-9-14(21-20-13)16(23)22-7-3-2-4-17(22)5-6-17/h8-10H,2-7H2,1H3,(H,20,21)
InChIKeyDUTUDDRELJWJMB-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.78
Rot. Bonds3

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

4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone (PubChem CID 163294667) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone
PubChem CID163294667
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1cc(-c2cc(C(=O)N3CCCCC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C17H19FN4O2/c1-24-15-8-11(12(18)10-19-15)13-9-14(21-20-13)16(23)22-7-3-2-4-17(22)5-6-17/h8-10H,2-7H2,1H3,(H,20,21)
InChIKeyDUTUDDRELJWJMB-UHFFFAOYSA-N
XLogP2.78
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone (CID 163294667) is 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone is COc1cc(-c2cc(C(=O)N3CCCCC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is DUTUDDRELJWJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-24-15-8-11(12(18)10-19-15)13-9-14(21-20-13)16(23)22-7-3-2-4-17(22)5-6-17/h8-10H,2-7H2,1H3,(H,20,21).
What are the key properties of 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone?
4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 330.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 163294667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).