2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole

C20H16N6S — CID 28732543

IUPAC2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cn2ccc(-c3cccc(-c4cnn5cccnc45)c3)n2)cs1
InChIInChI=1S/C20H16N6S/c1-14-23-17(13-27-14)12-25-9-6-19(24-25)16-5-2-4-15(10-16)18-11-22-26-8-3-7-21-20(18)26/h2-11,13H,12H2,1H3
InChIKeyNPMISAGOKCRWSB-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.07
Rot. Bonds4

About 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole (PubChem CID 28732543) has the molecular formula C20H16N6S and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole
PubChem CID28732543
Molecular FormulaC20H16N6S
Molecular Weight372.46 g/mol
Exact Mass372.12
IUPAC Name2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(Cn2ccc(-c3cccc(-c4cnn5cccnc45)c3)n2)cs1
InChIInChI=1S/C20H16N6S/c1-14-23-17(13-27-14)12-25-9-6-19(24-25)16-5-2-4-15(10-16)18-11-22-26-8-3-7-21-20(18)26/h2-11,13H,12H2,1H3
InChIKeyNPMISAGOKCRWSB-UHFFFAOYSA-N
XLogP4.07
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole (CID 28732543) is 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole is Cc1nc(Cn2ccc(-c3cccc(-c4cnn5cccnc45)c3)n2)cs1.
What is the InChIKey of 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is NPMISAGOKCRWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S/c1-14-23-17(13-27-14)12-25-9-6-19(24-25)16-5-2-4-15(10-16)18-11-22-26-8-3-7-21-20(18)26/h2-11,13H,12H2,1H3.
What are the key properties of 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 372.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(3-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)pyrazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 28732543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).