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

C23H18N6O2S — CID 24964658

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2cnccn2)sc1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C23H18N6O2S/c1-14-21(32-22(27-14)18-13-25-9-10-26-18)23(31)29-19(16-6-2-3-7-20(16)30)11-17(28-29)15-5-4-8-24-12-15/h2-10,12-13,19,30H,11H2,1H3
InChIKeyHJKASTJWCRVZNI-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.00
Rot. Bonds4

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 24964658) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID24964658
Molecular FormulaC23H18N6O2S
Molecular Weight442.50 g/mol
Exact Mass442.12
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2cnccn2)sc1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C23H18N6O2S/c1-14-21(32-22(27-14)18-13-25-9-10-26-18)23(31)29-19(16-6-2-3-7-20(16)30)11-17(28-29)15-5-4-8-24-12-15/h2-10,12-13,19,30H,11H2,1H3
InChIKeyHJKASTJWCRVZNI-UHFFFAOYSA-N
XLogP4.00
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [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) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2cnccn2)sc1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is HJKASTJWCRVZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c1-14-21(32-22(27-14)18-13-25-9-10-26-18)23(31)29-19(16-6-2-3-7-20(16)30)11-17(28-29)15-5-4-8-24-12-15/h2-10,12-13,19,30H,11H2,1H3.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 442.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 24964658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).