[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone

C24H18N4O2S — CID 24963945

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone
SMILESO=C(c1cncc(-c2cccs2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H18N4O2S/c29-22-7-2-1-6-19(22)21-12-20(16-5-3-9-25-13-16)27-28(21)24(30)18-11-17(14-26-15-18)23-8-4-10-31-23/h1-11,13-15,21,29H,12H2
InChIKeyGWUQEBWTNKRESH-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.90
Rot. Bonds4

About [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone (PubChem CID 24963945) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone
PubChem CID24963945
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone
SMILESO=C(c1cncc(-c2cccs2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H18N4O2S/c29-22-7-2-1-6-19(22)21-12-20(16-5-3-9-25-13-16)27-28(21)24(30)18-11-17(14-26-15-18)23-8-4-10-31-23/h1-11,13-15,21,29H,12H2
InChIKeyGWUQEBWTNKRESH-UHFFFAOYSA-N
XLogP4.90
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-({5-[3-(aminomethyl)phenyl]-2-thienyl}carbonyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 24829351
2-{3-Pyridin-3-yl-1-[(5-pyridin-2-yl-2-thienyl)carbonyl]-4,5-dihydro-1h-pyrazol-5-yl}phenol
CID 24963588
[3-(2-Fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 24964302
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
CID 24964658
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methanone
CID 24965362
[3-(4-Fluoro-2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 24965367
[4-(4-Chlorophenyl)thiophen-2-yl]-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 24967871
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(2-methylphenyl)thiophen-2-yl]methanone
CID 24968217
2-{3-pyridin-3-yl-1-{(5-pyridin-3-yl-2-thienyl)carbonyl}-4,5-dihydro-1H-pyrazol-5-yl}phenol
CID 46919518
[5-(2,3-dihydro-1H-isoindol-5-yl)thiophen-2-yl]-[3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 46919605
[5-(5-Amino-3-pyridinyl)-3-(2-fluoro-6-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 46919606
[5-[2-(Aminomethyl)phenyl]thiophen-2-yl]-[3-(2-fluoro-6-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 50990960

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone (CID 24963945) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone is O=C(c1cncc(-c2cccs2)c1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone?
The InChIKey is GWUQEBWTNKRESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c29-22-7-2-1-6-19(22)21-12-20(16-5-3-9-25-13-16)27-28(21)24(30)18-11-17(14-26-15-18)23-8-4-10-31-23/h1-11,13-15,21,29H,12H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone has a molecular weight of 426.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-thiophen-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 24963945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).