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

C24H19N5O2S — CID 54582155

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H19N5O2S/c1-15-22(32-23(27-15)17-7-5-11-26-14-17)24(31)29-20(18-8-2-3-9-21(18)30)12-19(28-29)16-6-4-10-25-13-16/h2-11,13-14,20,30H,12H2,1H3
InChIKeyVJATZUYJQRVTHM-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.61
Rot. Bonds4

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone (PubChem CID 54582155) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyridin-3-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-pyridin-3-yl-1,3-thiazol-5-yl)methanone
PubChem CID54582155
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2cccnc2)sc1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C24H19N5O2S/c1-15-22(32-23(27-15)17-7-5-11-26-14-17)24(31)29-20(18-8-2-3-9-21(18)30)12-19(28-29)16-6-4-10-25-13-16/h2-11,13-14,20,30H,12H2,1H3
InChIKeyVJATZUYJQRVTHM-UHFFFAOYSA-N
XLogP4.61
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.61
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]-(4-methyl-2-pyridin-3-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-pyridin-3-yl-1,3-thiazol-5-yl)methanone (CID 54582155) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyridin-3-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-pyridin-3-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-pyridin-3-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2cccnc2)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-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is VJATZUYJQRVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-15-22(32-23(27-15)17-7-5-11-26-14-17)24(31)29-20(18-8-2-3-9-21(18)30)12-19(28-29)16-6-4-10-25-13-16/h2-11,13-14,20,30H,12H2,1H3.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 441.52 g/mol, XLogP of 4.61, 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]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 54582155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).