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

C18H19FN4O3 — CID 163295330

IUPAC4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)N3CCC(C(=O)O)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C18H19FN4O3/c1-10-6-12(13(19)9-20-10)14-7-15(22-21-14)16(24)23-5-2-11(17(25)26)8-18(23)3-4-18/h6-7,9,11H,2-5,8H2,1H3,(H,21,22)(H,25,26)
InChIKeySKWMTSAADMXPQL-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.39
Rot. Bonds3

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

4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 163295330) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID163295330
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)N3CCC(C(=O)O)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C18H19FN4O3/c1-10-6-12(13(19)9-20-10)14-7-15(22-21-14)16(24)23-5-2-11(17(25)26)8-18(23)3-4-18/h6-7,9,11H,2-5,8H2,1H3,(H,21,22)(H,25,26)
InChIKeySKWMTSAADMXPQL-UHFFFAOYSA-N
XLogP2.39
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

CID 121279428
CID 121279428
CID 121279677
CID 121279677
CID 42606575
CID 42606575
CID 22576752
CID 22576752
CID 91800712
CID 91800712
CID 121279519
CID 121279519
CID 121279583
CID 121279583
CID 121279702
CID 121279702
CID 46943052
CID 46943052
CID 16188386
CID 16188386
CID 46948107
CID 46948107
CID 122190960
CID 122190960

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid (CID 163295330) is 4-[3-(5-fluoro-2-methyl-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-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid is Cc1cc(-c2cc(C(=O)N3CCC(C(=O)O)CC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of 4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is SKWMTSAADMXPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-10-6-12(13(19)9-20-10)14-7-15(22-21-14)16(24)23-5-2-11(17(25)26)8-18(23)3-4-18/h6-7,9,11H,2-5,8H2,1H3,(H,21,22)(H,25,26).
What are the key properties of 4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid?
4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 358.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 163295330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).