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

C23H17N5O2S — CID 24963236

IUPAC[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccncc2)n1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C23H17N5O2S/c29-21-6-2-1-5-17(21)20-12-18(16-4-3-9-25-13-16)27-28(20)23(30)19-14-31-22(26-19)15-7-10-24-11-8-15/h1-11,13-14,20,29H,12H2
InChIKeyMDYRNSORSIRUCL-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.30
Rot. Bonds4

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

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 24963236) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
PubChem CID24963236
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC Name[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccncc2)n1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C23H17N5O2S/c29-21-6-2-1-5-17(21)20-12-18(16-4-3-9-25-13-16)27-28(20)23(30)19-14-31-22(26-19)15-7-10-24-11-8-15/h1-11,13-14,20,29H,12H2
InChIKeyMDYRNSORSIRUCL-UHFFFAOYSA-N
XLogP4.30
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.30
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-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (CID 24963236) is [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-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-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccncc2)n1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is MDYRNSORSIRUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c29-21-6-2-1-5-17(21)20-12-18(16-4-3-9-25-13-16)27-28(20)23(30)19-14-31-22(26-19)15-7-10-24-11-8-15/h1-11,13-14,20,29H,12H2.
What are the key properties of [3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 427.49 g/mol, XLogP of 4.30, 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-pyridin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24963236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).