4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid

C18H19FN4O4 — CID 163295658

IUPAC4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)O)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C18H19FN4O4/c1-27-15-6-11(12(19)9-20-15)13-7-14(22-21-13)16(24)23-5-2-10(17(25)26)8-18(23)3-4-18/h6-7,9-10H,2-5,8H2,1H3,(H,21,22)(H,25,26)
InChIKeyLUPAWXACEBHUGX-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.09
Rot. Bonds4

About 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid

4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 163295658) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID163295658
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)O)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C18H19FN4O4/c1-27-15-6-11(12(19)9-20-15)13-7-14(22-21-13)16(24)23-5-2-10(17(25)26)8-18(23)3-4-18/h6-7,9-10H,2-5,8H2,1H3,(H,21,22)(H,25,26)
InChIKeyLUPAWXACEBHUGX-UHFFFAOYSA-N
XLogP2.09
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid (CID 163295658) is 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid is COc1cc(-c2cc(C(=O)N3CCC(C(=O)O)CC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is LUPAWXACEBHUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-27-15-6-11(12(19)9-20-15)13-7-14(22-21-13)16(24)23-5-2-10(17(25)26)8-18(23)3-4-18/h6-7,9-10H,2-5,8H2,1H3,(H,21,22)(H,25,26).
What are the key properties of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 163295658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).