(5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone

C20H19FN4O4S — CID 26480321

IUPAC(5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)c1)c1cc(F)ccc1O
InChIInChI=1S/C20H19FN4O4S/c21-15-4-6-18(26)17(10-15)20(27)14-11-23-25(13-14)19-7-5-16(12-22-19)30(28,29)24-8-2-1-3-9-24/h4-7,10-13,26H,1-3,8-9H2
InChIKeyMLCBECJKYYOQOR-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.52
Rot. Bonds5

About (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone

(5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone (PubChem CID 26480321) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone
PubChem CID26480321
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name(5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)c1)c1cc(F)ccc1O
InChIInChI=1S/C20H19FN4O4S/c21-15-4-6-18(26)17(10-15)20(27)14-11-23-25(13-14)19-7-5-16(12-22-19)30(28,29)24-8-2-1-3-9-24/h4-7,10-13,26H,1-3,8-9H2
InChIKeyMLCBECJKYYOQOR-UHFFFAOYSA-N
XLogP2.52
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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2-chloro-4-fluorobenzamide;6-pyrrolidin-1-ylpyridine-3-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone (CID 26480321) is (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone is O=C(c1cnn(-c2ccc(S(=O)(=O)N3CCCCC3)cn2)c1)c1cc(F)ccc1O.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone?
The InChIKey is MLCBECJKYYOQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c21-15-4-6-18(26)17(10-15)20(27)14-11-23-25(13-14)19-7-5-16(12-22-19)30(28,29)24-8-2-1-3-9-24/h4-7,10-13,26H,1-3,8-9H2.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone?
(5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone has a molecular weight of 430.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-[1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 26480321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).