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

C22H16N4O2S2 — CID 59463180

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C22H16N4O2S2/c27-19-7-2-1-6-15(19)18-11-16(14-5-3-9-23-12-14)25-26(18)22(28)17-13-30-21(24-17)20-8-4-10-29-20/h1-10,12-13,18,27H,11H2
InChIKeyJKPZZBVCLZHCEK-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.96
Rot. Bonds4

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 59463180) has the molecular formula C22H16N4O2S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID59463180
Molecular FormulaC22H16N4O2S2
Molecular Weight432.53 g/mol
Exact Mass432.07
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C22H16N4O2S2/c27-19-7-2-1-6-15(19)18-11-16(14-5-3-9-23-12-14)25-26(18)22(28)17-13-30-21(24-17)20-8-4-10-29-20/h1-10,12-13,18,27H,11H2
InChIKeyJKPZZBVCLZHCEK-UHFFFAOYSA-N
XLogP4.96
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.96
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-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 59463180) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cccs2)n1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is JKPZZBVCLZHCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S2/c27-19-7-2-1-6-15(19)18-11-16(14-5-3-9-23-12-14)25-26(18)22(28)17-13-30-21(24-17)20-8-4-10-29-20/h1-10,12-13,18,27H,11H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 432.53 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 59463180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).