[3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

C23H16FN5O2S — CID 59463269

IUPAC[3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccn2)n1)N1N=C(c2cccnc2)CC1c1c(O)cccc1F
InChIInChI=1S/C23H16FN5O2S/c24-15-6-3-8-20(30)21(15)19-11-17(14-5-4-9-25-12-14)28-29(19)23(31)18-13-32-22(27-18)16-7-1-2-10-26-16/h1-10,12-13,19,30H,11H2
InChIKeyQBEZJXWYUFVKQX-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.44
Rot. Bonds4

About [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone

[3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 59463269) has the molecular formula C23H16FN5O2S and a molecular weight of 445.48 g/mol. Its IUPAC name is [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID59463269
Molecular FormulaC23H16FN5O2S
Molecular Weight445.48 g/mol
Exact Mass445.10
IUPAC Name[3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccn2)n1)N1N=C(c2cccnc2)CC1c1c(O)cccc1F
InChIInChI=1S/C23H16FN5O2S/c24-15-6-3-8-20(30)21(15)19-11-17(14-5-4-9-25-12-14)28-29(19)23(31)18-13-32-22(27-18)16-7-1-2-10-26-16/h1-10,12-13,19,30H,11H2
InChIKeyQBEZJXWYUFVKQX-UHFFFAOYSA-N
XLogP4.44
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone (CID 59463269) is [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccccn2)n1)N1N=C(c2cccnc2)CC1c1c(O)cccc1F.
What is the InChIKey of [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is QBEZJXWYUFVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2S/c24-15-6-3-8-20(30)21(15)19-11-17(14-5-4-9-25-12-14)28-29(19)23(31)18-13-32-22(27-18)16-7-1-2-10-26-16/h1-10,12-13,19,30H,11H2.
What are the key properties of [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone?
[3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 445.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 59463269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).